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1.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):674-681
Three photoluminescent complexes containing either ZnII or CdII have been synthesized and their structures determined. Bis[4‐amino‐3,5‐bis(pyridin‐2‐yl)‐1,2,4‐triazole‐κ2N 1,N 5]bis(dicyanamido‐κN 1)zinc(II), [Zn(C12H10N6)2(C2N3)2], (I), bis[4‐amino‐3,5‐bis(pyridin‐2‐yl)‐1,2,4‐triazole‐κ2N 1,N 5]bis(dicyanamido‐κN 1)cadmium(II), [Cd(C12H10N6)2(C2N3)2], (II), and bis[4‐amino‐3,5‐bis(pyridin‐2‐yl)‐1,2,4‐triazole‐κ2N 1,N 5]bis(tricyanomethanido‐κN 1)cadmium(II), [Cd(C12H10N6)2(C4N3)2], (III), all crystallize in the space group P , with the metal centres lying on centres of inversion, but neither analogues (I) and (II) nor CdII complexes (II) and (III) are isomorphous. A combination of N—H…N and C—H…N hydrogen bonds and π–π stacking interactions generates three‐dimensional framework structures in (I) and (II), and a sheet structure in (III). The photoluminescence spectra of (I)–(III) indicate that the energies of the π–π* transitions in the coordinated triazole ligand are modified by minor changes of the ligand geometry associated with coordination to the metal centres. 相似文献
2.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(11):1010-1016
Because of their versatile coordination modes and strong coordination ability for metals, triazole ligands can provide a wide range of possibilities for the construction of metal–organic frameworks. Three transition‐metal complexes, namely bis(μ‐1,2,4‐triazol‐4‐ide‐3‐carboxylato)‐κ3N 2,O :N 1;κ3N 1:N 2,O‐bis[triamminenickel(II)] tetrahydrate, [Ni2(C3HN3O2)2(NH3)6]·4H2O, (I), catena‐poly[[[diamminediaquacopper(II)]‐μ‐1,2,4‐triazol‐4‐ide‐3‐carboxylato‐κ3N 1:N 4,O‐[diamminecopper(II)]‐μ‐1,2,4‐triazol‐4‐ide‐3‐carboxylato‐κ3N 4,O :N 1] dihydrate], {[Cu2(C3HN3O2)2(NH3)4(H2O)2]·2H2O}n , (II), (μ‐5‐amino‐1,2,4‐triazol‐1‐ide‐3‐carboxylato‐κ2N 1:N 2)di‐μ‐hydroxido‐κ4O :O‐bis[triamminecobalt(III)] nitrate hydroxide trihydrate, [Co2(C3H2N4O2)(OH)2(NH3)6](NO3)(OH)·3H2O, (III), with different structural forms have been prepared by the reaction of transition metal salts, i.e. NiCl2, CuCl2 and Co(NO3)2, with 1,2,4‐triazole‐3‐carboxylic acid or 3‐amino‐1,2,4‐triazole‐5‐carboxylic acid hemihydrate in aqueous ammonia at room temperature. Compound (I) is a dinuclear complex. Extensive O—H…O, O—H…N and N—H…O hydrogen bonds and π–π stacking interactions between the centroids of the triazole rings contribute to the formation of the three‐dimensional supramolecular structure. Compound (II) exhibits a one‐dimensional chain structure, with O—H…O hydrogen bonds and weak O—H…N, N—H…O and C—H…O hydrogen bonds linking anions and lattice water molecules into the three‐dimensional supramolecular structure. Compared with compound (I), compound (III) is a structurally different dinuclear complex. Extensive N—H…O, N—H…N, O—H…N and O—H…O hydrogen bonding occurs in the structure, leading to the formation of the three‐dimensional supramolecular structure. 相似文献
3.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(11):923-929
Carbon monoxide (CO) has recently been identified as a gaseous signaling molecule that exerts various salutary effects in mammalian pathophysiology. Photoactive metal carbonyl complexes (photoCORMs) are ideal exogenous candidates for more controllable and site‐specific CO delivery compared to gaseous CO. Along this line, our group has been engaged for the past few years in developing group‐7‐based photoCORMs towards the efficient eradication of various malignant cells. Moreover, several such complexes can be tracked within cancerous cells by virtue of their luminescence. The inherent luminecscent nature of some photoCORMs and the change in emission wavelength upon CO release also provide a covenient means to track the entry of the prodrug and, in some cases, both the entry and CO release from the prodrug. In continuation of the research circumscribing the development of trackable photoCORMs and also to graft such molecules covalently to conventional delivery vehicles, we report herein the synthesis and structures of three rhenium carbonyl complexes, namely, fac‐tricarbonyl[2‐(pyridin‐2‐yl)‐1,3‐benzothiazole‐κ2N ,N ′](4‐vinylpyridine‐κN )rhenium(I) trifluoromethanesulfonate, [Re(C7H7N)(C12H8N2S)(CO)3](CF3SO3), ( 1 ), fac‐tricarbonyl[2‐(quinolin‐2‐yl)‐1,3‐benzothiazole‐κ2N ,N ′](4‐vinylpyridine‐κN )rhenium(I) trifluoromethanesulfonate, [Re(C7H7N)(C16H10N2S)(CO)3](CF3SO3), ( 2 ), and fac‐tricarbonyl[1,10‐phenanthroline‐κ2N ,N ′](4‐vinylpyridine‐κN )rhenium(I) trifluoromethanesulfonate, [Re(C7H7N)(C12H8N2)(CO)3](CF3SO3), ( 3 ). In all three complexes, the ReI center resides in a distorted octahedral coordination environment. These complexes exhibit CO release upon exposure to low‐power UV light. The apparent CO release rates of the complexes have been measured to assess their comparative CO‐donating capacity. The three complexes are highly luminescent and this in turn provides a convenient way to track the entry of the prodrug molecules within biological targets. 相似文献
4.
Hua Cai Yan‐Ling Xiao Ying Guo Jian‐Gang Li 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(7):722-725
The complex poly[[aqua(μ2‐phthalato‐κ2O1:O2){μ3‐2‐[3‐(pyridin‐2‐yl)‐1H‐pyrazol‐1‐yl]acetato‐κ4N2,N3:O:O′}{μ2‐2‐[3‐(pyridin‐2‐yl)‐1H‐pyrazol‐1‐yl]acetato‐κ3N2,N3:O}dizinc(II)] dihydrate], {[Zn2(C10H8N3O2)2(C8H4O4)(H2O)]·2H2O}n, has been prepared by solvothermal reaction of 2‐[3‐(pyridin‐2‐yl)‐1H‐pyrazol‐1‐yl]acetonitrile (PPAN) with zinc(II). Under hydrothermal conditions, PPAN is hydrolyzed to 2‐[3‐(pyridin‐2‐yl)‐1H‐pyrazol‐1‐yl]acetate (PPAA−). The structure determination reveals that the complex is a one‐dimensional double chain containing cationic [Zn4(PPAA)4]4+ structural units, which are further extended by bridging phthalate ligands. The one‐dimensional chains are extended into a three‐dimensional supramolecular architecture via hydrogen‐bonding and π–π stacking interactions. 相似文献
5.
Guo-Xia Jin Tian-Chao You Jian-Ping Ma 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(12):1690-1697
The new asymmetrical organic ligand 2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole ( L , C17H13N5O), containing pyridine and imidazole terminal groups, as well as potential oxdiazole coordination sites, was designed and synthesized. The coordination chemistry of L with soft AgI, CuI and CdII metal ions was investigated and three new coordination polymers (CPs), namely, catena‐poly[[silver(I)‐μ‐2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole] hexafluoridophosphate], {[Ag( L )]PF6}n, catena‐poly[[copper(I)‐di‐μ‐iodido‐copper(I)‐bis(μ‐2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole)] 1,4‐dioxane monosolvate], {[Cu2I2( L )2]·C4H8O2}n, and catena‐poly[[[dinitratocopper(II)]‐bis(μ‐2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole)]–methanol–water (1/1/0.65)], {[Cd( L )2(NO3)2]·2CH4O·0.65H2O}n, were obtained. The experimental results show that ligand L coordinates easily with linear AgI, tetrahedral CuI and octahedral CdII metal atoms to form one‐dimensional polymeric structures. The intermediate oxadiazole ring does not participate in the coordination interactions with the metal ions. In all three CPs, weak π–π interactions between the nearly coplanar pyridine, oxadiazole and benzene rings play an important role in the packing of the polymeric chains. 相似文献
6.
Abderrezak Addala David K. Geiger Zouaoui Setifi Fatima Setifi 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(3):348-353
The cocrystal salt tetraaquabis[trans‐1,2‐bis(pyridin‐4‐yl)ethene‐κN]iron(II) bis(1,1,3,3‐tetracyano‐2‐ethoxypropenide)–trans‐1,2‐bis(pyridin‐4‐yl)ethene (1/2), [Fe(C12H10N2)2(H2O)4](C9H5N4O)2·2C12H10N2, is a rare example of a mononuclear FeII compound with trans‐1,2‐bis(pyridin‐4‐yl)ethane (bpe) ligands. The complex cation resides on a crystallographically imposed inversion center and exhibits a tetragonally distorted octahedral coordination geometry. Both the symmetry‐independent bpe ligand and the cocrystallized bpe molecule are essentially planar. The 1,1,3,3‐tetracyano‐2‐ethoxypropenide counter‐ion is nonplanar and the bond lengths are consistant with significant electron delocalization. The extended structure exhibits an extensive O—H…N hydrogen‐bonding network with layers of complex cations joined by the cocrystallized bpe. Both the coordinated and the cocrystallized bpe are involved in π–π interactions. Hirshfeld and fingerprint plots reveal the important intermolecular interactions. Density functional theory was used to estimate the strengths of the hydrogen‐bonding and π–π interactions, and suggest that the O—H…N hydrogen bonds enhance the strength of the π‐interactions by increasing the polarization of the pyridine rings. 相似文献
7.
Alfonso Castieiras Isabel García-Santos Manuel Saa 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(7):891-903
The reaction of 2‐cyanopyridine with N‐phenylthiosemicarbazide afforded 2‐[amino(pyridin‐2‐yl)methylidene]‐N‐phenylhydrazine‐1‐carbothioamide (Ham4ph) and crystals of 4‐phenyl‐5‐(pyridin‐2‐yl)‐2,4‐dihydro‐3H‐1,2,4‐triazole‐3‐thione (pyph3NS, 1 , C13H10N4S). Crystals of methyl 2‐{[4‐phenyl‐5‐(pyridin‐2‐yl)‐4H‐1,2,4‐triazol‐3‐yl]sulfanyl}acetate (phpy2NS, 2 , C16H14N4O2S), derived from 1 , were obtained by the reaction of Ham4ph with chloroacetic acid, followed by the acid‐catalyzed esterification of the carboxylic acid with methyl alcohol. Crystals of bis(methanol‐κO)bis(methyl 2‐{[4‐phenyl‐5‐(pyridin‐2‐yl)‐4H‐1,2,4‐triazol‐3‐yl‐κ2N1,N5]sulfanyl}acetato)zinc(II)/cadmium(II) hexabromidocadmate(II), [Zn0.76Cd0.24(C16H14N4O2S)2(CH3OH)2][Cd2Br6] or [Zn0.76Cd0.24(phpy2NS)2(MeOH)2][Cd2Br6], 3 , and dichlorido(methyl 2‐{[4‐phenyl‐5‐(pyridin‐2‐yl)‐4H‐1,2,4‐triazol‐3‐yl‐κ2N1,N5]sulfanyl}acetato)mercury(II), [HgCl2(C16H14N4O2S)] or [Hg(phpy2NS)Cl2], 4 , were synthesized using ligand 2 and CdBr2 or HgCl2, respectively. The molecular and supramolecular structures of the compounds were studied by X‐ray diffractometry. The asymmetric unit of 3 is formed from CdBr3 and M(phpy2NS)(MeOH) units, where the metal centre M has a 76% occupancy of ZnII and 24% of CdII. The M2+ centre of the cation, located on a crystallographic inversion centre, is hexacoordinated and appears as a slightly distorted octahedral [MN4O2]2+ cation. The Cd centre of the anion is coordinated by two terminal bromide ligands and two bridging bromide ligands that generate [Cd2Br6]2? cadmium–bromide clusters. These clusters display crystallographic inversion symmetry forming two edge‐shared tetrahedra and serve as agents that direct the structure in the formation of supramolecular assemblies. In mononuclear complex 4 , the coordination geometry around the Hg2+ ion is distorted tetrahedral and comprises two chloride ligands and two N‐atom donors from the phpy2NS ligand, viz. one pyridine N atom and the other from triazole. In the crystal packing, all four compounds exhibit weak intermolecular interactions, which facilitate the formation of three‐dimensional architectures. Along with the noncovalent interactions, the structural diversity in the complexes can be attributed to the metal centre and to the coordination geometry, as well as to its ionic or neutral character. 相似文献
8.
Evgeniy V. Govor Andrey B. Lysenko Konstantin V. Domasevitch Eduard B. Rusanov Alexander N. Chernega 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):m117-m120
The coordination polymers catena‐poly[[[(4,4′‐bi‐1,2,4‐triazole‐κN1)bis(thiocyanato‐κN)copper(II)]‐μ‐4,4′‐bi‐1,2,4‐triazole‐κ2N1:N1′] dihydrate], {[Cu(NCS)2(C4H4N6)2]·2H2O}n, (I), and poly[tetrakis(μ‐4,4′‐bi‐1,2,4‐triazole‐κ2N1:N1′)bis(μ‐thiocyanato‐κ2N:S)tetrakis(thiocyanato‐κN)tricadmium(II)], [Cd3(NCS)6(C4H4N6)4]n, (II), exhibit chain and two‐dimensional layer structures, respectively. The differentiation of the Lewis acidic nature of CuII and CdII has an influence on the coordination modes of the triazole and thiocyanate ligands, leading to topologically different polymeric motifs. In (I), copper ions are linked by bitriazole N:N′‐bridges into zigzag chains and the tetragonal–pyramidal CuN5 environment is composed of two thiocyanate N atoms and three triazole N atoms [basal Cu—N = 1.9530 (18)–2.0390 (14) Å and apical Cu—N = 2.2637 (15) Å]. The structure of (II) contains two types of crystallographically unique CdII atoms. One type lies on an inversion center in a distorted CdN6 octahedral environment, with bitriazole ligands in the equatorial plane and terminal isothiocyanate N atoms in the axial positions. The other type lies on a general position and forms centrosymmetric binuclear [Cd2(μ‐NCS‐κ2N:S)2(NCS)2] units (tetragonal–pyramidal CdN4S coordination). N:N′‐Bridging bitriazole ligands link the Cd centers into a flat (4,4)‐network. 相似文献
9.
Xiang-Long Niu Lin Wei Jian-Cheng Liu Wan-He Jia Jian-Ping Ma Lei Wang Jian-Cheng Wang Yu-Bin Dong 《Acta Crystallographica. Section C, Structural Chemistry》2021,77(1):29-39
Semirigid organic ligands can adopt different conformations to construct coordination polymers with more diverse structures when compared to those constructed from rigid ligands. A new asymmetric semirigid organic ligand, 4‐{2‐[(pyridin‐3‐yl)methyl]‐2H‐tetrazol‐5‐yl}pyridine ( L ), has been prepared and used to synthesize three bimetallic macrocyclic complexes and one coordination polymer, namely, bis(μ‐4‐{2‐[(pyridin‐3‐yl)methyl]‐2H‐tetrazol‐5‐yl}pyridine)bis[dichloridozinc(II)] dichloromethane disolvate, [Zn2Cl4(C12H10N6)2]·2CH2Cl2, ( I ), the analogous chloroform monosolvate, [Zn2Cl4(C12H10N6)2]·CHCl3, ( II ), bis(μ‐4‐{2‐[(pyridin‐3‐yl)methyl]‐2H‐tetrazol‐5‐yl}pyridine)bis[diiodidozinc(II)] dichloromethane disolvate, [Zn2I4(C12H10N6)2]·2CH2Cl2, ( III ), and catena‐poly[[[diiodidozinc(II)]‐μ‐4‐{2‐[(pyridin‐3‐yl)methyl]‐2H‐tetrazol‐5‐yl}pyridine] chloroform monosolvate], {[ZnI2(C12H10N6)]·CHCl3}n, ( IV ), by solution reaction with ZnX2 (X = Cl and I) in a CH2Cl2/CH3OH or CHCl3/CH3OH mixed solvent system at room temperature. Complex ( I ) is isomorphic with complex ( III ) and has a bimetallic ring possessing similar coordination environments for both of the ZnII cations. Although complex ( II ) also contains a bimetallic ring, the two ZnII cations have different coordination environments. Under the influence of the I? anion and guest CHCl3 molecule, complex ( IV ) displays a significantly different structure with respect to complexes ( I )–( III ). C—H…Cl and C—H…N hydrogen bonds, and π–π stacking or C—Cl…π interactions exist in complexes ( I )–( IV ), and these weak interactions play an important role in the three‐dimensional structures of ( I )–( IV ) in the solid state. In addition, the fluorescence properties of L and complexes ( I )–( IV ) were investigated. 相似文献
10.
Xiao‐Hua Chen Hua Huang Ming‐Xing Yang Li‐Juan Chen Shen Lin 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(5):488-492
In poly[aqua(μ3‐benzene‐1,4‐dicarboxylato‐κ5O1,O1′:O1:O4,O4′)[2‐(pyridin‐3‐yl‐κN)‐1H‐benzimidazole]cadmium(II)], [Cd(C8H4O4)(C12H9N3)(H2O)]n, (I), each CdII ion is seven‐coordinated by the pyridine N atom from a 2‐(pyridin‐3‐yl)benzimidazole (3‐PyBIm) ligand, five O atoms from three benzene‐1,4‐dicarboxylate (1,4‐bdc) ligands and one O atom from a coordinated water molecule. The complex forms an extended two‐dimensional carboxylate layer structure, which is further extended into a three‐dimensional network by hydrogen‐bonding interactions. In catena‐poly[[diaquabis[2‐(pyridin‐3‐yl‐κN)‐1H‐benzimidazole]cobalt(II)]‐μ2‐benzene‐1,4‐dicarboxylato‐κ2O1:O4], [Co(C8H4O4)(C12H9N3)2(H2O)2]n, (II), each CoII ion is six‐coordinated by two pyridine N atoms from two 3‐PyBIm ligands, two O atoms from two 1,4‐bdc ligands and two O atoms from two coordinated water molecules. The complex forms a one‐dimensional chain‐like coordination polymer and is further assembled by hydrogen‐bonding interactions to form a three‐dimensional network. 相似文献
11.
Jia Wang Tianchao You Teng Wang Qikui Liu Jianping Ma Guoxia Jin 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(6):806-811
The adsorption behaviour of the CdII–MOF {[Cd(L)2(ClO4)2]·H2O ( 1 ), where L is 4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole, for butan‐2‐one was investigated in a single‐crystal‐to‐single‐crystal (SCSC) fashion. A new host–guest system that encapsulated butan‐2‐one molecules, namely poly[[bis{μ3‐4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate], {[Cd(C24H18N6)2](ClO4)2·1.5C4H8O}n, denoted C4H8O@Cd‐MOF ( 2 ), was obtained via an SCSC transformation. MOF 2 crystallizes in the tetragonal space group P43212. The specific binding sites for butan‐2‐one in the host were determined by single‐crystal X‐ray diffraction studies. N—H…O and C—H…O hydrogen‐bonding interactions and C—H…π interactions between the framework, ClO4? anions and guest molecules co‐operatively bind 1.5 butan‐2‐one molecules within the channels. The adsorption behaviour was further evidenced by 1H NMR, IR, TGA and powder X‐ray diffraction experiments, which are consistent with the single‐crystal X‐ray analysis. A 1H NMR experiment demonstrates that the supramolecular interactions between the framework, ClO4? anions and guest molecules in MOF 2 lead to a high butan‐2‐one uptake in the channel. 相似文献
12.
Sibrina N. Collins Stephen Taylor Jeanette A. Krause William B. Connick 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):m436-m439
1‐[6‐(1H‐Pyrrolo[2,3‐b]pyridin‐1‐yl)pyridin‐2‐yl]‐1H‐pyrrolo[2,3‐b]pyridin‐7‐ium tetrachloridoferrate(III), (C19H14N5)[FeCl4], (II), and [2,6‐bis(1H‐pyrrolo[2,3‐b]pyridin‐1‐yl‐κN7)pyridine‐κN]bis(nitrato‐κO)copper(II), [Cu(NO3)2(C19H13N5)], (III), were prepared by self‐assembly from FeCl3·6H2O or Cu(NO3)2·3H2O and 2,6‐bis(1H‐pyrrolo[2,3‐b]pyridin‐1‐yl)pyridine [commonly called 2,6‐bis(azaindole)pyridine, bap], C19H13N5, (I). Compound (I) crystallizes with Z′ = 2 in the P space group, with both independent molecules adopting a trans–trans conformation. Compound (II) is a salt complex with weak C—H...Cl interactions giving rise to a zigzag network with π‐stacking down the a axis. Complex (III) lies across a twofold rotation axis in the C2/c space group. The CuII center in (III) has an N3O2 trigonal–bipyramidal environment. The nitrate ligand coordinates in a monodentate fashion, while the bap ligand adopts a twisted tridentate binding mode. C—H...O interactions give rise to a ribbon motif. 相似文献
13.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(11):960-967
Copper(II) bis(4,4,4‐trifluoro‐1‐phenylbutane‐1,3‐dionate) complexes with pyridin‐2‐one (pyon), 3‐hydroxypyridine (hpy) and 3‐hydroxypyridin‐2‐one (hpyon) were prepared and the solid‐state structures of (pyridin‐2‐one‐κO )bis(4,4,4‐trifluoro‐3‐oxo‐1‐phenylbutan‐1‐olato‐κ2O ,O ′)copper(II), [Cu(C10H6F3O2)2(C5H5NO)] or [Cu(tfpb‐κ2O ,O ′)2(pyon‐κO )], (I), bis(pyridin‐3‐ol‐κO )bis(4,4,4‐trifluoro‐3‐oxo‐1‐phenylbutan‐1‐olato‐κ2O ,O ′)copper(II), [Cu(C10H6F3O2)2(C5H5NO)2] or [Cu(tfpb‐κ2O ,O ′)2(hpy‐κO )2], (II), and bis(3‐hydroxypyridin‐2‐one‐κO )bis(4,4,4‐trifluoro‐3‐oxo‐1‐phenylbutan‐1‐olato‐κ2O ,O ′)copper(II), [Cu(C10H6F3O2)2(C5H5NO2)2] or [Cu(tfpb‐κ2O ,O ′)2(hpyon‐κO )2], (III), were determined by single‐crystal X‐ray analysis. The coordination of the metal centre is square pyramidal and displays a rare example of a mutual cis arrangement of the β‐diketonate ligands in (I) and a trans‐octahedral arrangement in (II) and (III). Complex (II) presents the first crystallographic evidence of κO‐monodentate hpy ligation to the transition metal enabling the pyridine N atom to participate in a two‐dimensional hydrogen‐bonded network through O—H…N interactions, forming a graph‐set motif R 22(7) through a C—H…O interaction. Complex (III) presents the first crystallographic evidence of monodentate coordination of the neutral hpyon ligand to a metal centre and a two‐dimensional hydrogen‐bonded network is formed through N—H…O interactions facilitated by C—H…O interactions, forming the graph‐set motifs R 22(8) and R 22(7). 相似文献
14.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(11):905-910
Benzothiazole derivatives are a class of privileged molecules due to their biological activity and pharmaceutical applications. One route to these molecules is via intramolecular cyclization of thioureas to form substituted 2‐aminobenzothiazoles, but this often requires harsh conditions or employs expensive metal catalysts. Herein, the copper(II)‐ and gold(III)‐mediated cyclizations of thioureas to substituted 2‐aminobenzothiazoles are reported. The single‐crystal X‐ray structures of the thiourea N‐(3‐methoxyphenyl)‐N ′‐(pyridin‐2‐yl)thiourea, C13H13N3OS, and the intermediate metal complexes aquabis[5‐methoxy‐N‐(pyridin‐2‐yl‐κN )‐1,3‐benzothiazol‐2‐amine‐κN 3]copper(II) dinitrate, [Cu(C13H11N3OS)2(H2O)](NO3)2, and bis{2‐[(5‐methoxy‐1,3‐benzothiazol‐2‐yl)amino]pyridin‐1‐ium} dichloridogold(I) chloride monohydrate, (C13H12N3OS)2[AuCl2]Cl·H2O, are reported. The copper complex exhibits a distorted trigonal–bipyramidal geometry, with direct metal‐to‐benzothiazole‐ligand coordination, while the gold complex is a salt containing the protonated uncoordinated benzothiazole, and offers evidence that metal reduction (in this case, AuIII to AuI) is required for the cyclization to proceed. As such, this study provides further mechanistic insight into the role of the metal cations in these transformations. 相似文献
15.
Guiying Zhu Yang Lu Guoxia Jin Xuan Ji Jianping Ma 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(4):443-450
Three new one‐ (1D) and two‐dimensional (2D) CuII coordination polymers, namely poly[[bis{μ2‐4‐amino‐3‐(pyridin‐2‐yl)‐5‐[(pyridin‐3‐ylmethyl)sulfanyl]‐1,2,4‐triazole}copper(II)] bis(methanesulfonate) tetrahydrate], {[Cu(C13H12N5S)2](CH3SO3)2·4H2O}n ( 1 ), catena‐poly[[copper(II)‐bis{μ2‐4‐amino‐3‐(pyridin‐2‐yl)‐5‐[(pyridin‐4‐ylmethyl)sulfanyl]‐1,2,4‐triazole}] dinitrate methanol disolvate], {[Cu(C13H12N5S)2](NO3)2·2CH3OH}n ( 2 ), and catena‐poly[[copper(II)‐bis{μ2‐4‐amino‐3‐(pyridin‐2‐yl)‐5‐[(pyridin‐4‐ylmethyl)sulfanyl]‐1,2,4‐triazole}] bis(perchlorate) monohydrate], {[Cu(C13H12N5S)2](ClO4)2·H2O}n ( 3 ), were obtained from 4‐amino‐3‐(pyridin‐2‐yl)‐5‐[(pyridin‐3‐ylmethyl)sulfanyl]‐1,2,4‐triazole with pyridin‐3‐yl terminal groups and from 4‐amino‐3‐(pyridin‐2‐yl)‐5‐[(pyridin‐4‐ylmethyl)sulfanyl]‐1,2,4‐triazole with pyridin‐4‐yl terminal groups. Compound 1 displays a 2D net‐like structure. The 2D layers are further linked through hydrogen bonds between methanesulfonate anions and amino groups on the framework and guest H2O molecules in the lattice to form a three‐dimensional (3D) structure. Compound 2 and 3 exhibit 1D chain structures, in which the complicated hydrogen‐bonding interactions play an important role in the formation of the 3D network. These experimental results indicate that the coordination orientation of the heteroatoms on the ligands has a great influence on the polymeric structures. Moreover, the selection of different counter‐anions, together with the inclusion of different guest solvent molecules, would also have a great effect on the hydrogen‐bonding systems in the crystal structures. 相似文献
16.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(11):1017-1023
With the rapid development of modern industry, water pollution has become an intractable environmental issue facing humans worldwide. In particular, the organic dyes discharged into natural water from dyestuffs, dyeing and the textile industry are the main sources of pollution in wastewater. To eliminate these types of pollutants, degradation of organic contaminants through a photocatalytic technique is an effective methodology. To exploit more crystalline photocatalysts for the degradation of organic dyes, two coordination polymers, namely catena‐poly[[(3,5‐dicarboxybenzene‐1‐carboxylato‐κO 1)silver(I)]‐μ‐trans‐1‐(pyridin‐3‐yl)‐2‐(pyridin‐4‐yl)ethene‐κ2N :N ′], [Ag(C9H5O6)(C12H10N2)]n or [Ag(H2BTC)(3,4′‐bpe)]n , (I), and poly[[(μ3‐5‐carboxybenzene‐1,3‐dicarboxylato‐κ4O 1,O 1′:O 3:O 3)[μ‐trans‐1‐(pyridin‐3‐yl)‐2‐(pyridin‐4‐yl)ethene‐κ2N :N′ ]cadmium(II)] monohydrate], {[Cd(C9H4O6)(C12H10N2)]·H2O}n or {[Cd(HBTC)(3,4′‐bpe)]·H2O}n , (II), have been prepared by the hydrothermal reactions of benzene‐1,3,5‐tricarboxylic acid (H3BTC) and trans‐1‐(pyridin‐3‐yl)‐2‐(pyridin‐4‐yl)ethene (3,4′‐bpe) in the presence of AgNO3 or Cd(NO3)2·4H2O, respectively. These two title compounds have been structurally characterized by IR spectroscopy, elemental analysis, single‐crystal X‐ray diffraction and powder X‐ray diffraction. In (I), the AgI ions and organic ligands form a one‐dimensional coordination chain, and adjacent coordination chains are connected by Ag…O interactions to give rise to a two‐dimensional supramolecular network. Each two‐dimensional network is entangled with other equivalent networks to generate an infrequent interlocked 2D→3D (2D and 3D are two‐ and three‐dimensional, respectively) supramolecular framework. In (II), the CdII ions are bridged by the HBTC2− and 3,4′‐bpe ligands, which lie across centres of inversion, to give a two‐dimensional coordination network. The thermal stabilities and photocatalytic properties of the title compounds have also been studied. 相似文献
17.
Ana María Atria Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):541-546
Two new NiII complexes involving the ancillary ligand bis[(pyridin‐2‐yl)methyl]amine (bpma) and two different carboxylate ligands, i.e. homophthalate [hph; systematic name: 2‐(2‐carboxylatophenyl)acetate] and benzene‐1,2,4,5‐tetracarboxylate (btc), namely catena‐poly[[aqua{bis[(pyridin‐2‐yl)methyl]amine‐κ3N,N′,N′′}nickel(II)]‐μ‐2‐(2‐carboxylatophenyl)aceteto‐κ2O:O′], [Ni(C9H6O4)(C12H13N3)(H2O)]n, and (μ‐benzene‐1,2,4,5‐tetracarboxylato‐κ4O1,O2:O4,O5)bis(aqua{bis[(pyridin‐2‐yl)methyl]amine‐κ3N,N′,N′′}nickel(II)) bis(triaqua{bis[(pyridin‐2‐yl)methyl]amine‐κ3N,N′,N′′}nickel(II)) benzene‐1,2,4,5‐tetracarboxylate hexahydrate, [Ni2(C10H2O8)(C12H13N3)2(H2O)2]·[Ni(C12H13N3)(H2O)3]2(C10H2O8)·6H2O, (II), are presented. Compound (I) is a one‐dimensional polymer with hph acting as a bridging ligand and with the chains linked by weak C—H...O interactions. The structure of compound (II) is much more complex, with two independent NiII centres having different environments, one of them as part of centrosymmetric [Ni(bpma)(H2O)]2(btc) dinuclear complexes and the other in mononuclear [Ni(bpma)(H2O)3]2+ cations which (in a 2:1 ratio) provide charge balance for btc4− anions. A profuse hydrogen‐bonding scheme, where both coordinated and crystal water molecules play a crucial role, provides the supramolecular linkage of the different groups. 相似文献
18.
Lei Guo Jia‐Qun Li Yu‐Ting Xie Chu‐Qin Lu Jian‐Zhong Wu 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(5):428-431
In the coordination polymer catena‐poly[[[diaqua[5‐carboxy‐2‐(pyridin‐3‐yl)‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4]lead(II)]‐μ‐5‐carboxy‐2‐(pyridin‐3‐yl)‐1H‐imidazole‐4‐carboxylato‐κ3N3,O4:N2] dihydrate], {[Pb(C10H6N3O4)(H2O)2]·2H2O}n, the two 5‐carboxy‐2‐(pyridin‐3‐yl)‐1H‐imidazole‐4‐carboxylate ligands have different coordination modes, one being terminal and the other bridging. The bridging ligand links PbII cations into one‐dimensional coordination polymer chains. The structure is also stabilized by intra‐ and interchain π–π stacking interactions between the pyridine rings, resulting in the formation of a two‐dimensional network. Extensive hydrogen‐bonding interactions lead to the formation of a three‐dimensional supramolecular network. 相似文献
19.
The dipyridyl‐type building blocks 4‐amino‐3,5‐bis(pyridin‐3‐yl)‐1,2,4‐triazole (3‐bpt) and 4,4′‐bipyridine (bpy) have been used to assemble with ZnII in the presence of trithiocyanuric acid (ttcH3) to afford two coordination compounds, namely bis[4‐amino‐3,5‐bis(pyridin‐3‐yl)‐1,2,4‐triazole‐κN3]bis(trithiocyanurato‐κ2N,S)zinc(II), [Zn(C3H2N3S3)2(C12H10N6)2]·2H2O, (1), and catena‐poly[[[bis(trithiocyanurato‐κ2N,S)zinc(II)]‐μ‐4,4′‐bipyridine‐κ2N:N′] 4,4′‐bipyridine monosolvate], {[Zn2(C3H2N3S3)4(C10H8N2)3]·C10H8N2}n, (2). Single‐crystal X‐ray analysis indicates that complex (1) is a mononuclear structure, while complex (2) presents a one‐dimensional chain coordination motif. In both complexes, the central ZnII cation adopts an octahedral geometry, coordinated by four N‐ and two S‐donor atoms. Notably, trithiocyanurate (ttcH2−) adopts the same bidentate chelating coordination mode in each complex and exists in the thione tautomeric form. The 3‐bpt co‐ligand in (1) adopts a monodentate coordination mode and serves as a terminal pendant ligand, whereas the 4,4′‐bipyridine (bpy) ligand in (2) adopts a bidentate–bridging coordination mode. The different coordination characters of the different N‐donor auxiliary ligands lead to structural diversity for complexes (1) and (2). Further analysis indicates that the resultant three‐dimensional supramolecular networks for (1) and (2) arise through intermolecular N—H...S and N—H...N hydrogen bonds. Both complexes have been further characterized by FT–IR spectroscopy and elemental analyses. 相似文献
20.
Qiang Li Hui‐Ting Wang Qiong Ye 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(10):992-997
The one‐ and two‐dimensional polymorphic cadmium polycarboxylate coordination polymers, catena‐poly[bis[μ2‐2‐(2‐methyl‐1H‐benzimidazol‐1‐yl)acetato‐κ3N3:O,O′]cadmium(II)], [Cd(C10H9N2O2)2]n, and poly[bis[μ2‐2‐(2‐methyl‐1H‐benzimidazol‐1‐yl)acetato‐κ3N3:O,O′]cadmium(II)], also [Cd(C10H9N2O2)2]n, were prepared under solvothermal conditions. In each structure, each CdII atom is coordinated by four O atoms and two N atoms from four different ligands. In the former structure, two crystallographically independent CdII atoms are located on twofold symmetry axes and doubly bridged in a μ2‐N:O,O′‐mode by the ligands into correspondingly independent chains that run in the [100] and [010] directions. Chains containing crystallographically related CdII atoms are linked into sheets viaπ–π stacking interactions. Sheets containing one of the distinct types of CdII atom are stacked perpendicular to [001] and alternate with sheets containing the other type of CdII atom. The second complex is a two‐dimensional homometallic CdII (4,4) net structure in which each CdII atom is singly bridged to four neighbouring CdII atoms by four ligands also acting in a μ2‐N:O,O′‐mode. A square‐grid network results and the three‐dimensional supramolecular framework is completed by π–π stacking interactions between the aromatic ring systems. 相似文献