共查询到20条相似文献,搜索用时 15 毫秒
1.
Ariel G. De Candia Matias Molnar Leonardo D. Slep Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(5):m121-m126
Although it has not proved possible to crystallize the newly prepared cyclam–methylimidazole ligand 1‐[(1‐methyl‐1H‐imidazol‐2‐yl)methyl]‐1,4,8,11‐tetraazacyclotetradecane (LIm1), the trans and cis isomers of an NiII complex, namely trans‐aqua{1‐[(1‐methyl‐1H‐imidazol‐2‐yl)methyl]‐1,4,8,11‐tetraazacyclotetradecane}nickel(II) bis(perchlorate) monohydrate, [Ni(C15H30N6)(H2O)](ClO4)2·H2O, (1), and cis‐aqua{1‐[(1‐methyl‐1H‐imidazol‐2‐yl)methyl]‐1,4,8,11‐tetraazacyclotetradecane}nickel(II) bis(perchlorate), [Ni(C15H30N6)(H2O)](ClO4)2, (2), have been prepared and structurally characterized. At different stages of the crystallization and thermal treatment from which (1) and (2) were obtained, a further two compounds were isolated in crystalline form and their structures also analysed, namely trans‐{1‐[(1‐methyl‐1H‐imidazol‐2‐yl)methyl]‐1,4,8,11‐tetraazacyclotetradecane}(perchlorato)nickel(II) perchlorate, [Ni(ClO4)(C15H30N6)]ClO4, (3), and cis‐{1,8‐bis[(1‐methyl‐1H‐imidazol‐2‐yl)methyl]‐1,4,8,11‐tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24‐hydrate, [Ni(C20H36N6)](ClO4)2·0.24H2O, (4); the 1,8‐bis[(1‐methyl‐1H‐imidazol‐2‐yl)methyl]‐1,4,8,11‐tetraazacyclotetradecane ligand is a minor side product, probably formed in trace amounts in the synthesis of LIm1. The configurations of the cyclam macrocycles in the complexes have been analysed and the structures are compared with analogues from the literature. 相似文献
2.
Sakharam B. Tayade Datta Markad Avinash S. Kumbhar Andrea Erxleben Debamitra Chakravarty 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(8):1084-1090
Two new one‐dimensional (1D) coordination polymers (CPs), namely catena‐poly[[[aquacadmium(II)]‐bis(μ‐4b,5,7,7a‐tetrahydro‐4b,7a‐epiminomethanoimino‐6H‐imidazo[4,5‐f][1,10]phenanthroline‐6,13‐dione)] bis(perchlorate) dihydrate], {[Cd(C14H10N6O2)2(H2O)](ClO4)2·2H2O}n or {[Cd(BPG)2(H2O)](ClO4)2·2H2O}n, 1 , and catena‐poly[[lead(II)‐bis(μ‐4b,5,7,7a‐tetrahydro‐4b,7a‐epiminomethanoimino‐6H‐imidazo[4,5‐f][1,10]phenanthroline‐6,13‐dione)] bis(perchlorate) dihydrate], {[Pb(C14H10N6O2)2](ClO4)2·2H2O}n or {[Pb(BPG)2](ClO4)2·2H2O}n, 2 , have been synthesized using bipyridine–glycoluril (BPG; systematic name: 4b,5,7,7a‐tetrahydro‐4b,7a‐epiminomethanoimino‐6H‐imidazo[4,5‐f][1,10]phenanthroline‐6,13‐dione), a urea‐fused tecton, in a mixed‐solvent system. The CdII ion in 1 is heptacoordinated and the PbII ion in 2 is hexacoordinated, with the CdII ion adopting a pentagonal bipyramidal geometry and the PbII ion adopting a distorted octahedral geometry. Both CPs form infinite linear chain structures which are hydrogen bonded to each other leading to the formation of three‐dimensional supramolecular network structures. Topological analysis of CPs 1 and 2 reveals that the structures exhibit 1D chain‐like arrangements in an AB–AB sequence and shows platonic uniform 2‐connected uninodal topologies. Furthermore, a comparative analysis of a series of structures based on the BPG ligand indicates that the size of the metal ion and the types of counter‐ions used have a great influence on the resulting frameworks and properties. 相似文献
3.
A. Gueddi B. Mernari M. Giorgi M. Pierrot 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e426-e428
The reaction of the diazine ligand 3,5‐bis(2‐pyridinyl)‐1,3,4‐oxadiazole (pod, C12H8N4O), with Cu(CF3SO3)2 or Ni(ClO4)2 afforded the title complexes diaquabis[3,5‐bis(2‐pyridinyl)‐1,3,4‐oxadiazole‐N2,N3]copper(II) bis(trifluoromethanesulfonate), [Cu(pod)2(H2O)2](CF3SO3)2, and diaquabis[3,5‐bis(2‐pyridinyl)‐1,3,4‐oxadiazole‐N2,N3]nickel(II) diperchlorate, [Ni(pod)2(H2O)2](ClO4)2. Both complexes present a crystallographically centrosymmetric mononuclear cation structure which consists of a six‐coordinated CuII or NiII ion with two pod molecules acting as bidentate ligands and two axially coordinated water molecules. 相似文献
4.
Ana María García Jorge Manzur Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):m335-m337
The title compund, [Cu2(OH)2(C22H25N3)2](ClO4)2, is a copper(II) dimer, with two [CuL]2+ units [L is bis(6‐methyl‐2‐pyridylmethyl)(2‐phenylethyl)amine] bridged by hydroxide groups to define the {[CuL](μ‐OH)2[CuL]}2+ cation. Charge balance is provided by perchlorate counter‐anions. The cation has a crystallographic inversion centre halfway between the CuII ions, which are separated by 3.0161 (8) Å. The central core of the cation is an almost regular Cu2O2 parallelogram of sides 1.931 (2) and 1.935 (2) Å, with a Cu—O—Cu angle of 102.55 (11)°. The coordination geometry around each CuII centre can be best described as a square‐based pyramid, with three N atoms from L ligands and two hydroxide O atoms completing the coordination environment. Each cationic unit is hydrogen bonded to two perchlorate anions by means of hydroxide–perchlorate O—H...O interactions. 相似文献
5.
Anders Lennartson Christine J. McKenzie 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(12):m347-m352
Bis{μ‐2‐[bis(pyridin‐2‐ylmethyl)amino]acetato}bis[diaquamanganese(II)] bis(trifluoromethanesulfonate) monohydrate, [Mn2(C14H14N3O2)2(H2O)4](CF3O3S)2·H2O, (I), and bis{μ‐3‐[bis(pyridin‐2‐ylmethyl)amino]propionato}bis[aquamanganese(II)] bis(trifluoromethanesulfonate) dihydrate, [Mn2(C15H16N3O2)2(H2O)2](CF3O3S)2·2H2O, (II), form binuclear seven‐coordinate complexes. Oxidation of (II) with ammonium hexanitratocerate(IV), (NH4)2[Ce(NO3)6], gave the oxide‐bridged dimanganese(IV) complex di‐μ‐oxido‐bis(bis{3‐[bis(pyridin‐2‐ylmethyl)amino]propionato}manganese(IV)) bis[triaquatetranitratocerate(IV)], [Mn2O2(C15H16N3O2)2][Ce(NO3)4(H2O)3]2, (III). The manganese complexes in (II) and (III) sit on a site of symmetry. 相似文献
6.
The amino substituted bidentate chelating ligand 2‐amino‐5‐(2‐pyridyl)‐1,3,4‐thiadiazole (H2 L ) was used to prepare 3:1‐type coordination compounds of iron(II), cobalt(II) and nickel(II). In the iron(II) perchlorate complex [FeII(H2 L )3](ClO4)2·0.6MeOH·0.9H2O a 1:1 mixture of mer and fac isomers is present whereas [FeII(H2 L )3](BF4)2·MeOH·H2O, [CoII(H2 L )3](ClO4)2·2H2O and [NiII(H2 L )3](ClO4)2·MeOH·H2O feature merely mer derivatives. Moessbauer spectroscopy and variable temperature magnetic measurements revealed the [FeII(H2 L )3]2+ complex core to exist in the low‐spin state, whereas the [CoII(H2 L )3]2+ complex core resides in its high‐spin state, even at very low temperatures. 相似文献
7.
Xiuna Mi Dafei Sheng Suna Wang Jing Lu Lu Yang Zhen Zhou 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(6):657-666
Reaction of the flexible phenolic carboxylate ligand 2‐(3,5‐dicarboxylbenzyloxy)benzoic acid (H3L) with nickel salts in the presence of 1,2‐bis(pyridin‐4‐yl)ethylene (bpe) leads to the generation of a mixture of the two complexes under solvolthermal conditions, namely poly[[aqua[μ‐1,2‐bis(pyridin‐4‐yl)ethylene‐κ2N:N′]{μ‐5‐[(2‐carboxyphenoxy)methyl]benzene‐1,3‐dicarboxylato‐κ3O1,O1′:O3}nickel(II)] dimethylformamide hemisolvate monohydrate], {[Ni(C16H10O7)(C12H10N2)(H2O)]·0.5C3H7NO·H2O}n or {[Ni(HL)(bpe)(H2O)]·0.5DMF·H2O}n, 1 , and poly[[diaquatris[μ‐1,2‐bis(pyridin‐4‐yl)ethylene‐κ2N:N′]bis{μ‐5‐[(2‐carboxyphenoxy)methyl]benzene‐1,3‐dicarboxylato‐κ2O1:O5}nickel(II)] dimethylformamide disolvate hexahydrate], {[Ni2(C16H10O7)2(C12H10N2)3(H2O)2]·2C3H7NO·6H2O}n or {[Ni2(HL)2(bpe)3(H2O)2]·2DMF·6H2O}n, 2 . In complex 1 , the NiII centres are connected by the carboxylate and bpe ligands to form two‐dimensional (2D) 4‐connected (4,4) layers, which are extended into a 2D+2D→3D (3D is three‐dimensional) supramolecular framework. In complex 2 , bpe ligands connect to NiII centres to form 2D layers with Ni6(bpe)6 metallmacrocycles. Interestingly, 2D+2D→3D inclined polycatenation was observed between these layers. The final 5‐connected 3D self‐penetrating structure was generated through further connection of Ni–carboxylate chains with these inclined motifs. Both complexes were fully characterized by single‐crystal analysis, powder X‐ray diffraction analysis, FT–IR spectra, elemental analyses, thermal analysis and UV–Vis spectra. Notably, an interesting metal/ligand‐induced crystal‐to‐crystal transformation was observed between the two complexes. 相似文献
8.
Tomoka Yamaguchi Yukinari Sunatsuki Hiroyuki Ishida 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):m156-m160
In the crystal structures of both title compounds, [1,3‐bis(2‐hydroxybenzylidene)‐2‐methyl‐2‐(2‐oxidobenzylideneaminomethyl)propane‐1,3‐diamine]nickel(II) [2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methyl‐1,3‐bis(2‐oxidobenzylidene)propane‐1,3‐diamine]nickel(II) chloride methanol disolvate, [Ni(C26H25.5N3O3)]2Cl·2CH4O, and [1,3‐bis(2‐hydroxybenzylidene)‐2‐methyl‐2‐(2‐oxidobenzylideneaminomethyl)propane‐1,3‐diamine]zinc(II) perchlorate [2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methyl‐1,3‐bis(2‐oxidobenzylidene)propane‐1,3‐diamine]zinc(II) methanol trisolvate, [Zn(C26H25N3O3)]ClO4·[Zn(C26H26N3O3)]·3CH4O, the 3d metal ion is in an approximately octahedral environment composed of three facially coordinated imine N atoms and three phenol O atoms. The two mononuclear units are linked by three phenol–phenolate O—H...O hydrogen bonds to form a dimeric structure. In the Ni compound, the asymmetric unit consists of one mononuclear unit, one‐half of a chloride anion and a methanol solvent molecule. In the O—H...O hydrogen bonds, two H atoms are located near the centre of O...O and one H atom is disordered over two positions. The NiII compound is thus formulated as [Ni(H1.5L)]2Cl·2CH3OH [H3L is 1,3‐bis(2‐hydroxybenzylidene)‐2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methylpropane‐1,3‐diamine]. In the analogous ZnII compound, the asymmetric unit consists of two crystallographically independent mononuclear units, one perchlorate anion and three methanol solvent molecules. The mode of hydrogen bonding connecting the two mononuclear units is slightly different, and the formula can be written as [Zn(H2L)]ClO4·[Zn(HL)]·3CH3OH. In both compounds, each mononuclear unit is chiral with either a Δ or a Λ configuration because of the screw coordination arrangement of the achiral tripodal ligand around the 3d metal ion. In the dimeric structure, molecules with Δ–Δ and Λ–Λ pairs co‐exist in the crystal structure to form a racemic crystal. A notable difference is observed between the M—O(phenol) and M—O(phenolate) bond lengths, the former being longer than the latter. In addition, as the ionic radius of the metal ion decreases, the M—O and M—N bond distances decrease. 相似文献
9.
The hydrothermal reaction of 2‐(quinolin‐8‐yloxy)acetonitrile and Cd(ClO4)2 yielded the noncentrosymmetric coordination complex tetrakis[μ‐2‐(quinolin‐8‐yloxy)acetato]tetrakis[μ‐2‐(quinolin‐8‐yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate, [Cd4(C11H8NO3)4(C11H8N2O)4](ClO4)4·2H2O. The local coordination environment around the CdII cation can be best described as a capped octahedron defined by two N atoms and five O atoms from three ligands. The CdII cations are linked by the ligands with Cd—O—Cd and Cd—O—C—C—O—Cd bridges, forming tetranuclear units, there being two independent tertranuclear units in the structure. The fourfold rotoinversion centre sits at the centre of each Cd4 core. The two perchlorate anions in the asymmetric unit are linked by the water molecule through O—H...O hydrogen bonds. 相似文献
10.
Xiang‐Wen Wu Wan‐Fu Wu Shi Yin Jian‐Ping Ma 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(8):683-689
Three coordination complexes with CuI centres have been prepared using the symmetrical flexible organic ligands 1,3‐bis{[5‐(quinolin‐2‐yl)‐1,3,4‐oxadiazol‐2‐yl]sulfanyl}propane (L1) and 1,4‐bis{[5‐(quinolin‐2‐yl)‐1,3,4‐oxadiazol‐2‐yl]sulfanyl}butane (L2). Crystallization of L1 with Cu(SO3CF3)2 and of L2 with Cu(BF4)2 and Cu(ClO4)2 in a CH2Cl2/CH3OH mixed‐solvent system at room temperature afforded the coordination complexes catena‐poly[[copper(I)‐μ‐1,3‐bis{[5‐(quinolin‐2‐yl)‐1,3,4‐oxadiazol‐2‐yl]sulfanyl}propane] methanesulfonate dichloromethane 0.6‐solvate], {[Cu(C25H18N6O2S2)](CF3SO3)·0.6CH2Cl2}n, (I), bis(μ‐1,4‐bis{[5‐(quinolin‐2‐yl)‐1,3,4‐oxadiazol‐2‐yl]sulfanyl}butane)dicopper(I) bis(tetrafluoridoborate)–dichloromethane–methanol (1/1.5/1), [Cu2(C26H20N6O2S2)2](BF4)2·1.5CH2Cl2·CH3OH, (II), and bis(μ‐1,4‐bis{[5‐(quinolin‐2‐yl)‐1,3,4‐oxadiazol‐2‐yl]sulfanyl}butane)dicopper(I) bis(perchlorate)–dichloromethane–methanol (1/2/1), [Cu2(C26H20N6O2S2)2](ClO4)2·2CH2Cl2·CH3OH, (III). Under the control of the dumbbell‐shaped CF3SO3− anion, complex (I) forms a one‐dimensional chain and neighbouring chains form a spiral double chain. Under the control of the regular tetrahedron‐shaped BF4− and ClO4− anions, complexes (II) and (III) have been obtained as bimetallic rings, which further interact viaπ–π interactions to form two‐dimensional networks. The anions play a decisive role in determining the arrangement of these discrete molecular complexes in the solid state. 相似文献
11.
Yasemin Yahsi 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(7):585-592
The coordination chemistry of multinuclear metal compounds is important because of their relevance to the multi‐metal active sites of various metalloproteins and metalloenzymes. Multinuclear CuII and MnIII compounds are of interest due to their various properties in the fields of coordination chemistry, inorganic biochemistry, catalysis, and optical and magnetic materials. Oxygen‐bridged binuclear MnIII complexes generally exhibit antiferromagnetic interactions and a few examples of ferromagnetic interactions have also been reported. Binuclear CuII complexes are important due to the fact that they provide examples of the simplest case of magnetic interaction involving only two unpaired electrons. Two novel dioxygen‐bridged copper(II) and manganese(III) Schiff base complexes, namely bis(μ‐4‐bromo‐2‐{[(3‐oxidopropyl)imino]methyl}phenolato)dicopper(II), [Cu2(C10H10BrNO2)2], (1), and bis(diaqua{4,4′‐dichloro‐2,2′‐[(1,1‐dimethylethane‐1,2‐diyl)bis(nitrilomethanylylidene)]diphenolato}manganese(III)) bis{μ‐4,4′‐dichloro‐2,2′‐[(1,1‐dimethylethane‐1,2‐diyl)bis(nitrilomethanylylidene)]diphenolato}bis[aquamanganese(III)] tetrakis(perchlorate) ethanol disolvate, [Mn(C18H16Cl2N2O2)(H2O)2]2[Mn2(C18H16Cl2N2O2)2(H2O)2](ClO4)4·2C2H5OH, (2), have been synthesized and single‐crystal X‐ray diffraction has been used to analyze their crystal structures. The structure analyses of (1) and (2) show that each CuII atom is four‐coordinated, with long weak Cu…O interactions of 2.8631 (13) Å linking the dinuclear halves of the centrosymmetric tetranucelar molecules, while each MnIII atom is six‐coordinated. The shortest intra‐ and intermolecular nonbonding Mn…Mn separations are 3.3277 (16) and 5.1763 (19) Å for (2), while the Cu…Cu separations are 3.0237 (3) and 3.4846 (3) Å for (1). The magnetic susceptibilities of (1) and (2) in the solid state were measured in the temperature range 2–300 K and reveal the presence of antiferromagnetic spin‐exchange interactions between the transition metal ions. 相似文献
12.
Anders Hammershi Magnus Schau‐Magnussen Jesper Bendix Anne Mlgaard 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m319-m322
The structures of the diastereoisomers Λ(+)578‐, (I), and Δ(−)578‐bis(ethane‐1,2‐diamine)[β‐ethyl (S)‐aspartato‐κ2N,O1]cobalt(III) bis(perchlorate) monohydrate, (II), both [Co(C6H10N2O4)(C2H8N2)2](ClO4)2·H2O, are compared. In both structures, the ester group of the amino acid side chain is engaged only in intramolecular hydrogen bonding to coordinated amine groups. This interaction is stronger in (I) and correlates with previously observed diastereoisomeric equilibrium ratios for related metal complex systems in aqueous media. The two perchlorate anions of (II) are located on twofold axes. Both perchlorates in (I) and one of the perchlorates in (II) are affected by disorder. Both structures exhibit extensive three‐dimensional hydrogen‐bonding networks. 相似文献
13.
Two dinuclear succinato‐bridged nickel(II) complexes [Ni(RR‐L)]2(μ‐SA)(ClO4)2 ( 1 ) and [Ni(SS‐L)]2(μ‐SA)(ClO4)2 ( 2 ) (L = 5, 5, 7, 12, 12, 14‐hexamethyl‐1, 4, 8, 11‐tetraazacyclotetradecane, SA = succinic acid) were synthesized and characterized by EA, Circular dichroism (CD), as well as IR and UV/Vis spectroscopy. Single crystal X‐ray diffraction analyses revealed that the NiII atoms display a distorted octahedral coordination arrangement, and the succinato ligand bridges two central NiII atoms in a bis bidentate fashion to form dimers in 1 and 2 . The monomers of {[Ni(RR‐L)]2(μ‐SA)}2+ and {[Ni(SS‐L)]2(μ‐SA)}2+ are connected by O–H ··· O and N–H ··· O hydrogen bonds into a 1D right‐handed and left‐handed helical chain along the b axis, respectively. The homochiral natures of 1 and 2 are confirmed by the results of CD spectroscopy. 相似文献
14.
Alexander J. Blake Lorenzo Tei Claire Wilson Martin Schrder 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m43-m45
The asymmetric unit of {[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}zinc(II) triaqua{μ‐[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}lithium(I)zinc(II) chloride diperchlorate, [Zn(C12H26N5O2)][LiZn(C12H26N5O2)(H2O)3]Cl(ClO4)2, obtained from the reaction between the lithium salt of 4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononane‐1‐acetate and Zn(ClO4)2, contains two ZnII complexes in which each ZnII ion is six‐coordinated by five N‐atom donors and one O‐atom donor from the ligand. One carboxylate O‐atom donor is not involved in coordination to a ZnII atom, but coordinates to an Li+ ion, the tetrahedral geometry of Li+ being completed by three water molecules. The two complexes are linked via a hydrogen bond between a primary amine N—H group and the carboxylate‐O atom not involved in coordination to a metal. 相似文献
15.
Li‐Yan Wang Yan‐Fen Peng Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):m297-m299
The coordination geometry of the NiII atom in the title complex, poly[diazidobis[μ‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene‐κ2N4:N4′]nickel(II)], [Ni(N3)2(C12H12N6)2]n, is a distorted octahedron, in which the NiII atom lies on an inversion centre and is coordinated by four N atoms from the triazole rings of two symmetry‐related pairs of 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (bbtz) ligands and two N atoms from two symmetry‐related monodentate azide ligands. The NiII atoms are bridged by four bbtz ligands to form a two‐dimensional (4,4)‐network. 相似文献
16.
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
17.
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
18.
Roza Dimeska Jan Wikaira Garry M. Mockler Ray J. Butcher 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(5):538-544
The structures of three copper‐containing complexes, namely (benzoato‐κ2O,O′)[(E)‐2‐({[2‐(diethylamino)ethyl]imino}methyl)phenolato‐κ3N,N′,O]copper(II) dihydrate, [Cu(C7H5O2)(C13H19N2O)]·2H2O, 1 , [(E)‐2‐({[2‐(diethylamino)ethyl]imino}methyl)phenolato‐κ3N,N′,O](2‐phenylacetato‐κ2O,O′)copper(II), [Cu(C8H7O2)(C13H19N2O)], 2 , and bis[μ‐(E)‐2‐({[3‐(diethylamino)propyl]imino}methyl)phenolato]‐κ4N,N′,O:O;κ4O:N,N′,O‐(μ‐2‐methylbenzoato‐κ2O:O′)copper(II) perchlorate, [Cu2(C8H7O2)(C12H17N2O)2]ClO4, 3 , have been reported and all have been tested for their activity in the oxidation of d ‐galactose. The results suggest that, unlike the enzyme galactose oxidase, due to the precipitation of Cu2O, this reaction is not catalytic as would have been expected. The structures of 1 and 2 are monomeric, while 3 consists of a dimeric cation and a perchlorate anion [which is disordered over two orientations, with occupancies of 0.64 (4) and 0.36 (4)]. In all three structures, the central Cu atom is five‐coordinated in a distorted square‐pyramidal arrangment (τ parameter of 0.0932 for 1 , 0.0888 for 2 , and 0.142 and 0.248 for the two Cu centers in 3 ). In each species, the environment about the Cu atom is such that the vacant sixth position is open, with very little steric crowding. 相似文献
19.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):754-759
We report the synthesis and characterization of a novel 4‐(dimethylamino)pyridinium‐substituted η3‐cycloheptatrienide–Pd complex which is free of halide ligands. Diacetonitrile{η3‐[4‐(dimethylamino)pyridinium‐1‐yl]cycloheptatrienido}palladium(II) bis(tetrafluoroborate), [Pd(C2H3N)2(C14H16N2)](BF4)2, was prepared by the exchange of two bromide ligands for noncoordinating anions, which results in the empty coordination sites being occupied by acetonitrile ligands. As described previously, exchange of only one bromide leads to a dimeric complex, di‐μ‐bromido‐bis({η3‐[4‐(dimethylamino)pyridinium‐1‐yl]cycloheptatrienido}palladium(II)) bis(tetrafluoroborate) acetonitrile disolvate, [Pd2Br2(C14H16N2)2](BF4)2·2CH3CN, with bridging bromide ligands, and the crystal structure of this compound is also reported here. The structures of the cycloheptatrienide ligands of both complexes are analogous to the dibromide derivative, showing the allyl bond in the β‐position with respect to the pyridinium substituent. This indicates that, unlike a previous interpretation, the main reason for the formation of the β‐isomer cannot be internal hydrogen bonding between the cationic substituents and bromide ligands. 相似文献
20.
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