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1.
Mingtian Li Jun Huang Xuan Zhou Hua Fang Liyun Ding 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(7):m250-m253
The structures reported herein, viz. bis(4‐aminonaphthalene‐1‐sulfonato‐κO)bis(4,5‐diazafluoren‐9‐one‐κ2N,N′)copper(II), [Cu(C10H8NO3S)2(C11H6N2O)2], (I), and poly[[[diaquacadmium(II)]‐bis(μ‐4‐aminonaphthalene‐1‐sulfonato)‐κ2O:N;κ2N:O] dihydrate], {[Cd(C10H8NO3S)2(H2O)2]·2H2O}n, (II), are rare examples of sulfonate‐containing complexes where the anion does not fulfill a passive charge‐balancing role, but takes an active part in coordination as a monodentate and/or bridging ligand. Monomeric complex (I) possesses a crystallographic inversion center at the CuII atom, and the asymmetric unit contains one‐half of a Cu atom, one complete 4‐aminonaphthalene‐1‐sulfonate (ans) ligand and one 4,5‐diazafluoren‐9‐one (DAFO) ligand. The CuII atom has an elongated distorted octahedral coordination geometry formed by two O atoms from two monodentate ans ligands and by four N atoms from two DAFO molecules. Complex (II) is polymeric and its crystal structure is built up by one‐dimensional chains and solvent water molecules. Here also the cation (a CdII atom) lies on a crystallographic inversion center and adopts a slightly distorted octahedral geometry. Each ans anion serves as a bridging ligand linking two CdII atoms into one‐dimensional infinite chains along the [010] direction, with each CdII center coordinated by four ans ligands via O and N atoms and by two aqua ligands. In both structures, there are significant π–π stacking interactions between adjacent ligands and hydrogen bonds contribute to the formation of two‐ and three‐dimensional networks. 相似文献
2.
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
3.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(2):91-96
Subtle modifications of N‐donor ligands can result in complexes with very different compositions and architectures. In the complex catena‐poly[[bis{1‐[(1H‐benzotriazol‐1‐yl)methyl]‐1H‐imidazole‐κN 3}copper(II)]‐μ‐benzene‐1,3‐dicarboxylato‐κ3O 1,O 1′:O 3], {[Cu(C8H4O4)(C10H9N5)2(H2O)]·2H2O}n , each CuII ion is six‐coordinated by two N atoms from two crystallographically independent 1‐[(1H‐benzotriazol‐1‐yl)methyl]‐1H‐imidazole (bmi) ligands, by three O atoms from two symmetry‐related benzene‐1,3‐dicarboxylate (bdic2−) ligands and by one water molecule, leading to a distorted CuN2O4 octahedral coordination environment. The CuII ions are connected by bridging bdic2− anions to generate a one‐dimensional chain. The bmi ligands coordinate to the CuII ions in monodentate modes and are pendant on opposite sides of the main chain. In the crystal, the chains are linked by O—H…O and O—H…N hydrogen bonds, as well as by π–π interactions, into a three‐dimensional network. A thermogravimetric analysis was carried out and the fluorescence behaviour of the complex was also investigated. 相似文献
4.
Mariana Dennehy Oscar V. Quinzani Ricardo Faccio Eleonora Freire lvaro W. Mombrú 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(1):m12-m16
(Acetonitrile‐1κN)[μ‐1H‐benzimidazole‐2(3H)‐thione‐1:2κ2S:S][1H‐benzimidazole‐2(3H)‐thione‐2κS]bis(μ‐1,1‐dioxo‐1λ6,2‐benzothiazole‐3‐thiolato)‐1:2κ2S3:N;1:2κ2S3:S3‐dicopper(I)(Cu—Cu), [Cu2(C7H4NO2S2)2(C7H6N2S)2(CH3CN)] or [Cu2(tsac)2(Sbim)2(CH3CN)] [tsac is thiosaccharinate and Sbim is 1H‐benzimidazole‐2(3H)‐thione], (I), is a new copper(I) compound that consists of a triply bridged dinuclear Cu—Cu unit. In the complex molecule, two tsac anions and one neutral Sbim ligand bind the metals. One anion bridges via the endocyclic N and exocyclic S atoms (μ‐S:N). The other anion and one of the mercaptobenzimidazole molecules bridge the metals through their exocyclic S atoms (μ‐S:S). The second Sbim ligand coordinates in a monodentate fashion (κS) to one Cu atom, while an acetonitrile molecule coordinates to the other Cu atom. The CuI—CuI distance [2.6286 (6) Å] can be considered a strong `cuprophilic' interaction. In the case of [μ‐1H‐benzimidazole‐2(3H)‐thione‐1:2κ2S:S]bis[1H‐benzimidazole‐2(3H)‐thione]‐1κS;2κS‐bis(μ‐1,1‐dioxo‐1λ6,2‐benzothiazole‐3‐thiolato)‐1:2κ2S3:N;1:2κ2S3:S3‐dicopper(I)(Cu—Cu), [Cu2(C7H4NO2S2)2(C7H6N2S)3] or [Cu2(tsac)2(Sbim)3], (II), the acetonitrile molecule is substituted by an additional Sbim ligand, which binds one Cu atom via the exocylic S atom. In this case, the CuI—CuI distance is 2.6068 (11) Å. 相似文献
5.
The title compound, [Cu2(C9H10NO3)2(NO3)2(C10H8N2)(H2O)2]n, contains CuII atoms and l ‐tyrosinate (l ‐tyr) and 4,4′‐bipyridine (4,4′‐bipy) ligands in a 2:2:1 ratio. Each Cu atom is coordinated by one amino N atom and two carboxylate O atoms from two l ‐tyr ligands, one N atom from a 4,4′‐bipy ligand, a monodentate nitrate ion and a water molecule in an elongated octahedral geometry. Adjacent Cu atoms are bridged by the bidentate carboxylate groups into a chain. These chains are further linked by the bridging 4,4′‐bipy ligands, forming an undulated chiral two‐dimensional sheet. O—H...O and N—H...O hydrogen bonds connect the sheets in the [100] direction. This study offers useful information for the engineering of chiral coordination polymers with amino acids and 4,4′‐bipy ligands by considering the ratios of the metal ion and organic components. 相似文献
6.
Xiang‐Wen Wu Meng‐Meng Xin Jian‐Ping Ma Zhen‐Hua Wu Yu‐Bin Dong 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(6):601-605
Two new symmetric double‐armed oxadiazole‐bridged ligands, 4‐methyl‐{5‐[5‐methyl‐2‐(pyridin‐3‐ylcarbonyloxy)phenyl]‐1,3,4‐oxadiazol‐2‐yl}phenyl pyridine‐3‐carboxylate (L1) and 4‐methyl‐{5‐[5‐methyl‐2‐(pyridin‐4‐ylcarbonyloxy)phenyl]‐1,3,4‐oxadiazol‐2‐yl}phenyl pyridine‐4‐carboxylate (L2), were prepared by the reaction of 2,5‐bis(2‐hydroxy‐5‐methylphenyl)‐1,3,4‐oxadiazole with nicotinoyl chloride and isonicotinoyl chloride, respectively. Ligand L1 can be used as an organic clip to bind CuII cations and generate a molecular complex, bis(4‐methyl‐{5‐[5‐methyl‐2‐(pyridin‐3‐ylcarbonyloxy)phenyl]‐1,3,4‐oxadiazol‐2‐yl}phenyl pyridine‐3‐carboxylate)bis(perchlorato)copper(II), [Cu(ClO4)2(C28H20N4O5)2], (I). In compound (I), the CuII cation is located on an inversion centre and is hexacoordinated in a distorted octahedral geometry, with the pyridine N atoms of two L1 ligands in the equatorial positions and two weakly coordinating perchlorate counter‐ions in the axial positions. The two arms of the L1 ligands bend inward and converge at the CuII coordination point to give rise to a spirometallocycle. Ligand L2 binds CuI cations to generate a supramolecule, diacetonitriledi‐μ3‐iodido‐di‐μ2‐iodido‐bis(4‐methyl‐{5‐[5‐methyl‐2‐(pyridin‐4‐ylcarbonyloxy)phenyl]‐1,3,4‐oxadiazol‐2‐yl}phenyl pyridine‐4‐carboxylate)tetracopper(I), [Cu4I4(CH3CN)2(C28H20N4O5)2], (II). The asymmetric unit of (II) indicates that it contains two CuI atoms, one L2 ligand, one acetonitrile ligand and two iodide ligands. Both of the CuI atoms are four‐coordinated in an approximately tetrahedral environment. The molecule is centrosymmetric and the four I atoms and four CuI atoms form a rope‐ladder‐type [Cu4I4] unit. Discrete units are linked into one‐dimensional chains through π–π interactions. 相似文献
7.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(4):314-318
The unsymmetrical N‐heterocyclic ligand 1‐[(benzotriazol‐1‐yl)methyl]‐1H‐1,3‐imidazole (bmi) has three potential N‐atom donors and can act in monodentate or bridging coordination modes in the construction of complexes. In addition, the bmi ligand can adopt different coordination conformations, resulting in complexes with different structures due to the presence of the flexible methylene spacer. Two new complexes, namely bis{1‐[(benzotriazol‐1‐yl)methyl]‐1H‐1,3‐imidazole‐κN 3}dibromidomercury(II), [HgBr2(C10H9N5)2], and bis{1‐[(benzotriazol‐1‐yl)methyl]‐1H‐1,3‐imidazole‐κN 3}diiodidomercury(II), [HgI2(C10H9N5)2], have been synthesized through the self‐assembly of bmi with HgBr2 or HgI2. Single‐crystal X‐ray diffraction shows that both complexes are mononuclear structures, in which the bmi ligands coordinate to the HgII ions in monodentate modes. In the solid state, both complexes display three‐dimensional networks formed by a combination of hydrogen bonds and π–π interactions. The IR spectra and PXRD patterns of both complexes have also been recorded. 相似文献
8.
Li-Yang Zhang Li-Ping Lu Si-Si Feng 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(8):652-657
Coordination polymers are a thriving class of functional solid‐state materials and there have been noticeable efforts and progress toward designing periodic functional structures with desired geometrical attributes and chemical properties for targeted applications. Self‐assembly of metal ions and organic ligands is one of the most efficient and widely utilized methods for the construction of CPs under hydro(solvo)thermal conditions. 2‐(Pyridin‐3‐yl)‐1H‐imidazole‐4,5‐dicarboxylate (HPIDC2−) has been proven to be an excellent multidentate ligand due to its multiple deprotonation and coordination modes. Crystals of poly[aquabis[μ3‐5‐carboxy‐2‐(pyridin‐3‐yl)‐1H‐imidazole‐4‐carboxylato‐κ5N1,O5:N3,O4:N2]copper(II)dicopper(I)], [CuIICuI2(C10H5N3O4)2(H2O)]n, (I), were obtained from 2‐(pyridin‐3‐yl)‐1H‐imidazole‐4,5‐dicarboxylic acid (H3PIDC) and copper(II) chloride under hydrothermal conditions. The asymmetric unit consists of one independent CuII ion, two CuI ions, two HPIDC2− ligands and one coordinated water molecule. The CuII centre displays a square‐pyramidal geometry (CuN2O3), with two N,O‐chelating HPIDC2− ligands occupying the basal plane in a trans geometry and one O atom from a coordinated water molecule in the axial position. The CuI atoms adopt three‐coordinated Y‐shaped coordinations. In each [CuN2O] unit, deprotonated HPIDC2− acts as an N,O‐chelating ligand, and a symmetry‐equivalent HPIDC2− ligand acts as an N‐atom donor via the pyridine group. The HPIDC2− ligands in the polymer serve as T‐shaped 3‐connectors and adopt a μ3‐κ2N,O:κ2N′,O′:κN′′‐coordination mode, linking one CuII and two CuI cations. The Cu cations are arranged in one‐dimensional –Cu1–Cu2–Cu3– chains along the [001] direction. Further crosslinking of these chains by HPIDC2− ligands along the b axis in a –Cu2–HPIDC2−–Cu3–HPIDC2−–Cu1– sequence results in a two‐dimensional polymer in the (100) plane. The resulting (2,3)‐connected net has a (123)2(12)3 topology. Powder X‐ray diffraction confirmed the phase purity for (I), and susceptibilty measurements indicated a very weak ferromagnetic behaviour. A thermogravimetric analysis shows the loss of the apical aqua ligand before decomposition of the title compound. 相似文献
9.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(12):1087-1097
The assembly of CuII with the multifunctional ligand 2‐amino‐4‐sulfobenzoic acid (H2asba) in the presence of the auxiliary flexible ligands 1,4‐bis(triazol‐1‐ylmethyl)benzene (bbtz) and 1,4‐bis(imidazol‐1‐ylmethyl)benzene (bix) under ambient conditions resulted in two new supramolecular coordination polymers, namely poly[[(3‐amino‐4‐carboxybenzenesulfonato‐κO )aquabis[μ2‐1,4‐bis(triazol‐1‐ylmethyl)benzene‐κ2N 4:N 4′]copper(II)] 3‐amino‐4‐carboxybenzenesulfonate tetrahydrate], {[Cu(C7H6NO5S)(C12H12N6)2(H2O)](C7H6NO5S)·4H2O}n , ( 1 ), and poly[[bis(μ2‐2‐amino‐4‐sulfonatobenzoato‐κ3O 1:N ,O 1′)tetraaqua[μ2‐1,4‐bis(triazol‐1‐ylmethyl)benzene‐κ2N 4:N 4′]dicopper(II)] tetrahydrate], {[Cu2(C7H5NO5S)2(C14H14N4)(H2O)4]·4H2O}n , ( 2 ). Single‐crystal X‐ray structure diffraction analysis of ( 1 ) reveals that the bbtz ligand acts as a bridge, linking adjacent CuII ions into a two‐dimensional cationic (4,4) topological network, in which the coordinated 3‐amino‐4‐carboxybenzenesulfonate (Hasba−) anion uses its sulfonate group to bind with the CuII ion in a monodentate fashion and the carboxylate group remains protonated. The lattice Hasba− anion resides in the two‐dimensional layer and balances the charge. The carboxylate group of the 2‐amino‐4‐sulfonatobenzoate (asba2−) ligand in ( 2 ) is involved in bidentate coordination, connecting adjacent CuII ions into carboxylate‐bridged chains which are further bridged by the auxiliary flexible bix ligand in a trans –gauche (TG) mode, resulting in the formation of a two‐dimensional network architecture. The amino group of the asba2− ligand in ( 2 ) also takes part in the coordination with the central CuII ion. The six‐coordinated CuII centres in ( 1 ) and ( 2 ) exhibit distorted octahedral coordination geometries. Extensive hydrogen bonding exists in both ( 1 ) and ( 2 ). The interlayer hydrogen bonds in both compounds further extend adjacent two‐dimensional layers into three‐dimensional supramolecular network architectures. Furthermore, a detailed analysis of the solid‐state UV–Vis–NIR (NIR is near IR) diffuse reflectance data indicates that ( 1 ) and ( 2 ) may have potential as wide band gap indirect semiconductor materials. Compounds ( 1 ) and ( 2 ) show reversible and irreversible dehydration–rehydration behaviours, respectively. 相似文献
10.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(1):62-68
Luminescent cuprous complexes are an important class of coordination compounds due to their relative abundance, low cost and ability to display excellent luminescence. The title ionic trinuclear Cu3I2 complex, tris[μ2‐diphenyl(pyridin‐2‐yl)phosphane‐κ2P:N]di‐μ3‐iodido‐tricopper(I)(3 Cu—Cu) hexafluoridophosphate, [Cu3I2(C39H32NP)3]PF6, conventionally abbreviated as [Cu3I2(Ph2PPy)3]PF6, is described. Each CuI atom is coordinated by two μ3‐iodide ligands and by a P and an N atom from two Ph2PPy ligands, giving rise to a CuI2PN tetrahedral coordination geometry about each CuI centre. The electronic absorption and photoluminescence properties of this trinuclear cluster have been studied on as‐synthesized samples, which had been examined previously by powder X‐ray diffraction. A detailed time‐dependent density functional theory (TD–DFT) study was carried out and showed a green emission derived from a halide‐to‐ligand charge transfer and metal‐to‐ligand charge transfer 3(X+M)LCT excited state. 相似文献
11.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(4):504-512
Two new CoII coordination polymers (CPs), namely, catena‐poly[[[(5‐amino‐2,4,6‐tribromobenzene‐1,3‐dicarboxylato‐κO)aquacobalt(II)]‐bis[μ‐1,3‐bis(imidazol‐1‐ylmethyl)benzene‐κ2N:N′]] 4.75‐hydrate], {[Co(C8H2Br3NO4)(C14H14N4)2(H2O)]·4.75H2O}n, (1), and poly[(μ‐5‐amino‐2,4,6‐tribromobenzene‐1,3‐dicarboxylato‐κ2O1:O3)[μ‐1,2‐bis(imidazol‐1‐ylmethyl)benzene‐κ2N:N′]cobalt(II)], [Co(C8H2Br3NO4)(C14H14N4)]n, (2), have been synthesized successfully by the assembly of multifunctional 5‐amino‐2,4,6‐tribromoisophthalic acid (H2ATBIP) and CoII ions in the presence of the flexible isomeric bis(imidazole) ligands 1,3‐bis(imidazol‐1‐ylmethyl)benzene (mbix) and 1,2‐bis(imidazol‐1‐ylmethyl)benzene (obix). The isomeric mbix and obix ligands have a big influence on the structures of CPs (1) and (2). CP (1) is composed of chains of nanometre‐sized elliptical rings, in which the CoII atom exhibits a distorted octahedral coordination geometry and ATBIP2− acts as a monodentate ligand. Two adjacent chains are interlinked by π–π stacking interactions and hydrogen bonds, resulting in a supramolecular double chain. Hydrogen‐bonded R86(16) rings extend adjacent supramolecular double chains into a two‐dimensional supramolecular layer. Halogen bonding and a hydrogen‐bonded R42(8) ring further link the two‐dimensional supramolecular layers, leading to the formation of a three‐dimensional supramolecular network. The CoII ion in CP (2) is tetracoordinated, exhibiting a distorted tetrahedral configuration. The ATBIP2− ligand exhibits a bis(monodentate) coordination bridging mode, linking adjacent CoII ions into zigzag chains, which are further bridged by the auxiliary bridging obix ligand, resulting in a two‐dimensional (4,4) topological network. Interlayer hydrogen and halogen–halogen bonding further extend the two‐dimensional layers into a three‐dimensional supramolecular network. A detailed analysis of the solid‐state UV–Vis–NIR diffuse‐reflectance spectra of (1) and (2) indicates that a wide optical band gap exists in both (1) and (2). CP (1) exhibits an irreversible dehydration–rehydration behaviour. 相似文献
12.
Fatma Karipcin Burcin Culu Saroj K. Sharma Kushal Qanungo 《Helvetica chimica acta》2012,95(4):647-659
The reaction of the ‘oximato’‐ligand precursor A (Fig. 1) and metal salts with KCN gave two mononuclear complexes [ML(CN)(H2O)n](ClO4) ( 1 and 2 ; L={N‐(hydroxy‐κO)‐α‐oxo‐N′‐[(pyridin‐2‐yl‐κN)methyl[1,1′‐biphenyl]‐4‐ethanimidamidato‐κN′}; M=CoII ( 1 ), CuII ( 2 ); n=2 for CoII, n=0 for CuII; Figs. 2 and 3). The new cyano‐bridged pentanuclear ‘oximato’ complexes [{ML(H2O)n(NC)}4M1(H2O)x](ClO4)2 ( 3 – 6 ) and trinuclear complexes [{ML(H2O)n(NC)}2M1L](ClO4) ( 7 – 10 ) ([M1=MnII, CuII; x=2 for MnII, x=0 for CuII] were synthesized from mononuclear complexes and characterized by elemental analyses, magnetic susceptibility, molar conductance, and IR and thermal analysis. The four [ML(CN)(H2O)n]+ moieties are connected by a metal(II) ion in the pentanuclear complexe 3 – 6 , each one involving four cyano bridging ligands (Fig. 4). The central metal ion displays a square‐planar or octahedral geometry, with the cyano bridging ligands forming the equatorial plane. The axial positions are occupied by two aqua ligands in the case of the central Mn‐atom. The two [ML(CN)(H2O)n]+ moieties and an ‘oximato’ ligand are connected by a metal(II) ion in the trinuclear complexes 7 – 10 , each one involving two cyano bridging ligands (Fig. 5). The central metal ions display a distorted square‐pyramidal geometry, with two cyano bridging ligands and the donor atoms of the tridentate ‘oximato’ ligand. Moreover catalytic activities of the complexes for the disproportionation of hydrogen peroxide (H2O2) were also investigated in the presence of 1H‐imidazole. The synthesized homopolynuclear CuII complexes 6 and 10 displayed eficiency in disproportion reactions of H2O2 producing H2O and dioxygen thus showing catalase‐like activity. 相似文献
13.
Eric P. Kelson Norman S. Dean Edgar Algarín 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m108-m110
The title compound, [Ru(C6H6NO2)2(C15H11N3)(H2O)]·CH3CN·H2O, is a transfer hydrogenation catalyst supported by nitrogen‐donor ligands. This octahedral RuII complex features rare monodentate coordination of 3‐methoxy‐2‐pyridonate ligands and interligand S(6)S(6) hydrogen bonding. Comparison of the title complex with a structural analog with unsubstituted 2‐pyridonate ligands reveals subtle differences in the orientation of the ligand planes. 相似文献
14.
A. Castieiras S. Balboa E. Bermejo R. Carballo B. Covelo J. Borras J. A. Real 《无机化学与普通化学杂志》2002,628(5):1116-1123
Three new members of the copper/carboxylato/heterocyclic diimine family, namely [Cu(GLYO)(2, 2′‐bipy)]2 · nH2O (n = 4 ( 1 ) or 6 ( 2 ), H2GLYO = glycolic acid, 2, 2′‐bipy = 2, 2′‐bipyridine) and {[Cu(AcO)2(4, 4′‐bipy)] · 3H2O}n ( 3 ) (AcO = acetato, 4, 4′‐bipy = 4, 4‐bipyridine), have been synthesized and characterized by IR and electronic absorption spectroscopy, and the crystal structures have been determined by single crystal X‐ray analysis. 1 and 2 are composed of discrete dinuclear units in which each CuII atom is coordinated in a square pyramidal arrangement to the two nitrogen atoms of a bipyridine ligand, to bridging non‐carboxy oxygen atoms belonging to two glycolato ligands, and to one of the carboxy oxygen atoms of one of these glycolato ligands. The Cu··Cu distance is 3.0666(5)Å. Compound 3 consists of linear chains of dinuclear units in which each CuII is coordinated to one non‐bridging monodentate acetato ligand, to two acetato ligands that each bridge via a single oxygen atom, and to one nitrogen atom of each of two mutually trans bis‐monodentate 4, 4′‐bipyridine ligands that link the repeat units of the polymer. The coordination polyhedra are square pyramids, and the Cu··Cu distance within each dimeric repeat unit is 3.502(2)Å. The temperature dependence of their magnetic susceptibilities shows there to be weak antiferromagnetic interaction between the metal atoms of each dimer in all three complexes, with fitting parameter values of —2J = 1.3 cm—1 and g = 2.09 for 1 and 2 , and —2J = 1.4 cm—1 and g = 2.15 for 3 . The X‐band EPR spectra show signals corresponding to the dinuclear units. 相似文献
15.
A twofold interpenetrating three‐dimensional CdII coordination framework, [Cd(C8H3NO6)(C14H14N4)]n, has been prepared and characterized by IR spectroscopy, elemental analysis, thermal analysis and single‐crystal X‐ray diffraction. The asymmetric unit consists of a divalent CdII atom, one 1,3‐bis(2‐methyl‐1H‐imidazol‐1‐yl)benzene (1,3‐BMIB) ligand and one fully deprotonated 5‐nitrobenzene‐1,3‐dicarboxylate (NO2‐BDC2−) ligand. The coordination sphere of the CdII atom consists of five O‐donor atoms from three different NO2‐BDC2− ligands and two imidazole N‐donor atoms from two different 1,3‐BMIB ligands, forming a distorted {CdN2O5} pentagonal bipyramid. The NO2‐BDC ligand links three CdII atoms via a μ1‐η1:η1 chelating mode and a μ2‐η2:η1 bridging mode. The title compound is a twofold interpenetrating 3,5‐connected network with the {42.65.83}{42.6} topology. In addition, the compound exhibits fluorescence emissions in the solid state at room temperature. 相似文献
16.
Jian‐Jun Liu Zuo‐Yin Li Xiong Yuan Yao Wang Chang‐Cang Huang 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):599-602
The title complex, [Cu(C6H4N3)]n, was synthesized by the reaction of cupric nitrate, 1H‐benzotriazole (BTAH) and aqueous ammonia under hydrothermal conditions. The asymmetric unit contains three crystallographically independent CuI cations and two 1H‐benzotriazolate ligands. Two of the CuI cations, one with a linear two‐coordinated geometry and one with a four‐coordinated tetrahedral geometry, are located on sites with crystallographically imposed twofold symmetry. The third CuI cation, with a planar three‐coordinated geometry, is on a general position. Two CuI cations are doubly bridged by two BTA− ligands to afford a noncentrosymmetric planar [Cu2(BTA)2] subunit, and two [Cu2(BTA)2] subunits are arranged in an antiparallel manner to form a centrosymmetric [Cu2(BTA)2]2 secondary building unit (SBU). The SBUs are connected in a crosswise manner via the sharing of four‐coordinated CuI cations, Cu—N bonding and bridging by two‐coordinate CuI cations, resulting in a one‐dimensional chain along the c axis. These one‐dimensional chains are further linked by C—H...π and weak van der Waals interactions to form a three‐dimensional supramolecular architecture. 相似文献
17.
Vladimir V. Bon 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):m300-m302
The title compound, [(Z)‐4‐allyl‐2‐(2‐hydroxybenzylidene)thiosemicarbazide‐κS][(E)‐4‐allyl‐1‐(2‐oxidobenzylidene)thiosemicarbazidato‐κ3O,N1,S]copper(II) monohydrate, [Cu(C11H11N3OS)(C11H13N3OS)]·H2O, crystallized as a rotational twin in the monoclinic crystal system (space group Cc) with two formula unit (Z′ = 2) in the asymmetric unit, one of which contains an allyl substituent disordered over two positions. The CuII atom exhibits a distorted square‐planar geometry involving two differently coordinated thiosemicarbazone ligands. One ligand is bonded to the CuII atom in a tridentate manner via the phenolate O, azomethine N and thioamide S atoms, while the other coordinates in a monodentate manner via the S atom only. The complex is stabilized by an intramolecular hydrogen bond, which creates a six‐membered pseudo‐chelate metalla‐ring. The structure analysis indicates the presence of the E isomer for the tridentate ligand and the Z isomer for the monodentate ligand. The crystal structure contains a three‐dimensional network built from intermolecular O—H...O, N—H...O, O—H...N and N—H...S hydrogen bonds. 相似文献
18.
M.Luz Gallego Mercedes Cano JosA. Campo JosV. Heras Elena Pinilla M.Rosario Torres 《Helvetica chimica acta》2005,88(9):2433-2440
The structures of [Pd(η3‐C3H5)(HpzR2)2](BF4) (HpzR2=Hpzbp2=3,5‐bis(4‐butoxyphenyl)‐1H‐pyrazole, 1 ; HpzR2=HpzNO2=3,5‐dimethyl‐4‐nitro‐1H‐pyrazole=Hdmnpz, 2 ) and [Ag(HpzR2)2](A) (HpzR2=Hpzbp2, A= , 3 ; HpzR2=HpzNO2, A= , 4 ) were comparatively analyzed to determine the factors responsible for polymeric assemblies. In all cases, the H‐bonding interactions between the pyrazole moieties and the appropriate counterion and, in particular, the orientation of the NH groups of the pyrazole ligands are determinant of one‐dimensional polymeric arrays. In this context, the new compound [Ag(HpzNO2)2](NO3) ( 5 ) was synthesized and its structure analyzed by X‐ray diffraction (Fig. 4). The HpzNO2 serves as N‐monodentate ligand, which coordinates to the AgI center through its pyrazole N‐atom giving rise to an almost linear N Ag N geometry. The planar NO counterion bridges two adjacent AgI centers to form a one‐dimensional zigzag‐shaped chain which is also supported by the presence of N H⋅⋅⋅O bonds between the pyrazole NH group of adjacent cationic entities and the remaining O‐atom of the bridging NO (Fig. 5). The chains are further extended to a two‐dimensional layer‐like structure through additional Ag⋅⋅⋅O interactions involving the NO2 substituents at the pyrazole ligands (Fig. 6). 相似文献
19.
Ahmet Bulut Hasan budak Gzde Sezer Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m228-m230
In the crystal structure of the title compound, bis(2‐aminopyrimidine‐κN1)bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed‐ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and by the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety. 相似文献
20.
You‐Ren Dong Xian‐Wen Wang Yue‐Qing Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m19-m21
In the title novel mixed‐valence copper complex, {[Cu2(C8H2NO6)(C10H8N2)]·H2O}n, the CuI and CuII ions are linked by 4,4′‐bipyridine (bpy) and pyridine‐2,4,6‐tricarboxylate (ptc) ligands into corrugated layers, which are assembled via interlayer C—H⋯O hydrogen bonds to give a three‐dimensional supramolecular architecture. 相似文献