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1.
Dmitry O. Ivashkevich Alexander S. Lyakhov Mikhail M. Degtyarik Pavel N. Gaponik 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m368-m370
The title compound, {[CuCl2(PhTz)2]·0.5PhTz}n (PhTz is 1‐phenyltetrazole, C7H6N4), has a polymeric structure, with uncoordinated disordered PhTz molecules in the cavities. The coordination polyhedron of the Cu atom is a highly elongated octahedron. The equatorial positions are occupied by two Cl atoms [Cu—Cl = 2.2687 (9) and 2.2803 (7) Å] and two N atoms of the PhTz ligands [Cu—N = 2.0131 (19) and 2.0317 (18) Å]. The more distant axial positions are occupied by two Cl atoms [Cu—Cl = 3.0307 (12) and 2.8768 (11) Å] that lie in the equatorial planes of two neighbouring Cu octahedra. The [CuCl2(PhTz)2] units are linked by Cu—Cl bridges into infinite chains extending parallel to the a axis. The chains are linked into two‐dimensional networks by intermolecular C—H⋯N interactions between the phenyl and tetrazole fragments, and by face‐to‐face π–π interactions between symmetry‐related phenyl rings. These two‐dimensional networks, which lie parallel to the ac plane, are connected by intermolecular π–π stacking interactions between phenyl rings, thus forming a three‐dimensional network. 相似文献
2.
Yu‐Biao Chen Yao Kang Ye‐Yan Qin Zhao‐Ji Li Jian‐Kai Cheng Rui‐Feng Hu Yi‐Hang Wen Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m168-m169
The title compound, [ZnCl2(bpp)]n (where bpp is 1,3‐di‐4‐pyridylpropane, C13H14N2), has been prepared by the hydrothermal reaction of ZnCl2 and bpp at 433 K. The Zn, Cl and central propyl C atom lie on the mirrors of the P21/m space group. The molecular structure shows a weave‐like polymeric chain. Each Zn atom is coordinated by two N atoms and two Cl atoms in a distorted tetrahedral geometry, with the Zn—N distance being 2.055 (5) Å and the Zn—Cl distances being 2.239 (3) and 2.247 (2) Å. 相似文献
3.
Dmitry O. Ivashkevich Alexander S. Lyakhov Dariya S. Pytleva Sergei V. Voitekhovich Pavel N. Gaponik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m221-m223
In the title compound, [Cu2Cl4(C6H10N8)2]n, the ligand has C2 symmetry, and the Cu and Cl atoms lie on a mirror plane. The coordination polyhedron of the Cu atom is a distorted square pyramid, with the basal positions occupied by two N atoms from two different ligands [Cu—N = 2.0407 (18) Å] and by the two Cl atoms [Cu—Cl = 2.2705 (8) and 2.2499 (9) Å], and the apical position occupied by a Cl atom [Cu—Cl = 2.8154 (9) Å] that belongs to the basal plane of a neighbouring Cu atom. The [CuCl2(C6H10N8)]2 units form infinite chains extending along the a axis via the Cl atoms. Intermolecular C—H⃛Cl contacts [C⃛Cl = 3.484 (2) Å] are also present in the chains. The chains are linked together by intermolecular C—H⃛N interactions [C⃛N = 3.314 (3) Å]. 相似文献
4.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m204-m206
In the polymeric title complex, [CuCl2(C3H6N4)2]n, there are two ligands in the asymmetric unit. The Cu atom adopts an elongated octahedral geometry, with two 2‐ethyltetrazole ligands [Cu—N = 2.0037 (16) and 2.0136 (16) Å] and two Cl atoms [Cu—Cl = 2.2595 (6) and 2.2796 (6) Å] in equatorial positions. A Cl atom and a symmetry‐related 2‐ethyltetrazole molecule [Cu—Cl = 2.8845 (8) Å and Cu—N = 2.851 (2) Å] lie in the axial positions of the octahedron. One of the two 2‐ethyltetrazole ligands of the asymmetric unit exhibits bidentate binding to two Cu atoms through two N atoms of the tetrazole ring, whereas the other ligand is coordinated in a monodentate fashion via one tetrazole N atom. The Cu‐atom octahedra form dimer entities by sharing edges with equatorial and axial Cl atoms. The dimers are linked together through the 2‐ethyltetrazole ligands to form one‐dimensional polymeric zigzag chains extending along the b axis. The chains are connected into infinite layers parallel to the (10) plane via the 2‐ethyltetrazole ligands. 相似文献
5.
Cristina Aller Jesús Castro Paulo Prez‐Lourido Elena Labisbal Jos Arturo García‐Vzquez 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m155-m157
In the title compound, [CuCl(C7H7O3S)(C12H8N2)(H2O)], the central Cu atom is coordinated by a water molecule, a chloride ion, an O‐monodentate p‐toluenesulfonate anion and an N,N′‐bidentate 1,10‐phenanthroline ligand. The copper environment is best described as a slightly distorted square pyramid, with bond distances Cu—Cl 2.2282 (9) Å, Cu—OW 1.984 (3) Å, and Cu—N 2.006 (3) and 2.028 (3) Å; the apical Cu—O distance is 2.281 (2) Å. In the supramolecular structure, π–π‐stacking stabilization is observed, and classical and non‐classical hydrogen bonds also play an important role. 相似文献
6.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Vadim E. Matulis Vitaly E. Matulis Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m90-m92
In the crystal structure of the title compound, [Cu3Cl6(C4H6N4)4]n, there are three Cu atoms, six Cl atoms and four 2‐allyltetrazole ligands in the asymmetric unit. The polyhedron of one Cu atom adopts a flattened octahedral geometry, with two 2‐allyltetrazole ligands in the axial positions [Cu—N4 = 1.990 (2) and 1.991 (2) Å] and four Cl atoms in the equatorial positions [Cu—Cl = 2.4331 (9)–2.5426 (9) Å]. The polyhedra of the other two Cu atoms have a square‐pyramidal geometry, with three basal sites occupied by Cl atoms [Cu—Cl = 2.2487 (9)–2.3163 (8) and 2.2569 (9)–2.3034 (9) Å] and one basal site occupied by a 2‐allyltetrazole ligand [Cu—N4 = 2.028 (2) and 2.013 (2) Å]. A Cl atom lies in the apical position of either pyramid [Cu—Cl = 2.8360 (10) and 2.8046 (9) Å]. The possibility of including the tetrazole N3 atoms in the coordination sphere of the two Cu atoms is discussed. Neighbouring copper polyhedra share their edges with Cl atoms to form one‐dimensional polymeric chains running along the a axis. 相似文献
7.
Kelly Flood Neil F. Curtis Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m78-m80
The title compound, [Co(NCS)2(C11H26N4)]2[Zn(NCS)4]·C2H5OH, has two similar cations with the CoIII atom coordinated in a planar fashion by the 13‐membered cyclic tetraamine, in the 1R,4S,7R,10S configuration, and with trans isothiocyanate ligands. The six‐membered chelate ring is in a chair conformation, with one axially and one equatorially oriented methyl substituent [mean Co—N = 1.948 (2) Å]. The `opposite' chelate ring (N4 and N7) is in an eclipsed conformation [mean Co—N = 1.928 (2) Å], and the `side' chelate rings have gauche conformations. The mean Co—NNCS distance is 1.928 (2) Å. Both cations have one Co—N—C group nearly linear and the other appreciably bent, with mean Co—N—C angles of 178.7 (1) and 160.4 (1)°, respectively. The [Zn(NCS)4]2− anion is approximately tetrahedral, with Zn—N = 1.951 (1)–1.986 (1) Å, N—Zn—N = 104.5 (1)–111.9 (1)° and Zn—N—C = 152.5 (1)–179.4 (1)°. One NH group is hydrogen bonded to the ethanol O atom and the other NH groups are bonded to thiocyanate S atoms, forming a network. 相似文献
8.
The complex cis‐[RuCl(DMSO)(phen)2]BPh4, where DMSO is dimethylsulfoxide and phen is 1, 10‐phenanthroline, crystallizes in the monoclinic space group P21/c with a = 19.505(4), b = 10.045(2), c = 21.199(4) Å, β = 90.137(4)°, V = 4153(2) Å3, Z = 4, Dcalc = 1.430 g cm—3. The ruthenium coordination geometry is that of a slightly distorted octahedron with a cis‐RuN4ClS arrangement of the ligand donor atoms. The Ru—Cl distance is 2.421(1) Å and the Ru—S distance 2.250(2) Å. The four Ru—N distances are 2.057(6), 2.066(4), 2.073(4), and 2.086(4) Å with the Ru—N bond trans to Cl the second shortest and the Ru—N bond trans to S the longest one. 相似文献
9.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m399-m401
In the title molecular complex, [Cu4Cl6O(2‐EtTz)4], where 2‐EtTz is 2‐ethyltetrazole (C3H6N4), the central O atom is located on the symmetry site and is tetrahedrally coordinated to four Cu atoms, with Cu—O distances of 1.8966 (4) Å. A very slight distortion of Cu4O from a regular tetrahedron is observed [two Cu—O—Cu angles are 108.76 (3)° and four others are 109.828 (13)°]. Each Cu atom is connected to three others via the Cl atoms, forming a slightly distorted Cl octahedron around the O atom, with O⋯Cl distances of 2.9265 (7) Å for Cl atoms lying on the twofold axis and 2.9441 (13) Å for those in general positions. The Cu atom has a distorted trigonal–bipyramidal environment, with three Cl atoms in the equatorial plane, and with the N atom of the 2‐ethyltetrazole ligand and the μ4‐O atom in axial positions. The Cu atom is displaced out of the equatorial plane by ca 0.91 Å towards the coordinated N atom of the 2‐ethyltetrazole ligand. 相似文献
10.
Shu‐Ping Yang Li‐Jun Han Hai‐Tao Xia Da‐Qi Wang Yu‐Fen Liu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):m610-m614
The two title dinuclear copper(II) complexes, [Cu2Cl4(C17H20Cl2N2)2], (I), and [Cu2Cl4(C19H22N2O4)2], (II), have similar coordination environments. In each complex, the asymmetric unit consists of one half‐molecule and the two copper centres are bridged by a pair of Cl atoms, resulting in complexes with centrosymmetric structures containing Cu(μ‐Cl)2Cu parallelogram cores; the Cu...Cu separations and Cu—Cl—Cu angles are 3.4285 (8) Å and 83.36 (3)°, respectively, for (I), and 3.565 (2) Å and 84.39 (7)° for (II). Each Cu atom is five‐coordinated and the coordination geometry around the Cu atom is best described as a distorted square‐pyramid with a τ value of 0.155 (3) for (I) and 0.092 (7) for (II). The apical Cu—Cl bond length is 2.852 (1) Å for (I) and 2.971 (2) Å for (II). The basal Cu—Cl and Cu—N average bonds lengths are 2.2673 (9) and 2.030 (2) Å, respectively, for (I), and 2.280 (2) and 2.038 (6) Å for (II). The molecules of (I) are linked by one C—H...Cl hydrogen bond into a complex [10] sheet. The molecules of (II) are linked by one C—H...Cl and one N—H...O hydrogen bond into a complex [100] sheet. 相似文献
11.
Lesaw Siero Maria Bukowska‐Strzyewska 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):19-21
In the title dimeric complex, [Cu2(C4H4O4)2(C7H6N2S)4], which possesses a centre of symmetry, the Cu atoms are enclosed in a 14‐membered ring. They adopt a distorted square‐bipyramidal (4+2) coordination. The four closest donor atoms are two N atoms of 2‐aminobenzothiazole ligands and two O atoms of the succinate carboxylate groups. They form a square‐planar cis arrangement, with an average Cu—N distance of 2.003 (3) Å and Cu—O distances of 1.949 (3) and 1.965 (3) Å. Two longer Cu—O bonds of 2.709 (3) and 2.613 (3) Å involving the remaining O atoms of the carboxylate groups complete the sixfold coordination of the Cu atoms. The H atoms of each amino group of the 2‐aminobenzothiazole molecules form intra‐ and intermolecular N—H?O hydrogen bonds. A nearly perpendicular intermolecular C—H?Cg interaction (Cg is the centroid of the imidazole ring) is observed. The intramolecular Cu?Cu distance is 6.384 (2) Å. 相似文献
12.
ubica Tri
íkov Ivan Poto
k Christoph Wagner 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m246-m248
The structure of the title compound, [Cu(C6H7N)2{Ag(CN)2}2]n, is made up of neutral zigzag chains of [–NC–Ag–CN–Cu(4‐Mepy)2{Ag(CN)2}–NC–Ag–CN–] (4‐Mepy is 4‐methylpyridine). Neighbouring chains are linked by weak argentophilic interactions, with Ag?Ag distances of 3.2322 (12) Å. The Cu atom, which lies on a twofold rotation axis, is pentacoordinated by one monodentate Ag(CN)2? anion [Cu—N 1.985 (3) Å], the atoms of which lie on the same rotation axis, and by bridging dicyanoargentate anions [2 × Cu—N 2.0827 (19) Å], with Ag atoms on inversion centres. The coordination polyhedron is completed by two 4‐Mepy molecules [2 × Cu—N 2.038 (2) Å], which occupy the axial positions of a distorted trigonal bipyramid. 相似文献
13.
Dmitry O. Ivashkevich Mikhail M. Degtyarik Pavel N. Gaponik Alexander S. Lyakhov 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m288-m289
The title polymeric compound, [CuCl2(C5H10N4)2]n, is the first structurally characterized complex with a bulky 1‐alkyltetrazole ligand. The coordination polyhedron of the Cu atom is an elongated octahedron. The equatorial positions of the octahedron are occupied by the two Cl atoms, with Cu—Cl distances of 2.2920 (8) and 2.2796 (9) Å, and by the two N‐4 atoms of the tetrazole ligands, with Cu—N distances of 2.023 (2) and 2.039 (2) Å. Two symmetry‐related Cl atoms occupy the axial positions, at distances of 2.8244 (8) and 3.0174 (8) Å from the Cu atom. The [CuCl2(C5H10N4)2] units form infinite chains extended along the b axis, linked together only by van der Waals interactions. The skeleton of each chain consists of Cu and Cl atoms. 相似文献
14.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 相似文献
15.
Ivan Poto
k Milan Bur
k Christoph Wagner Lothar Jger 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m327-m329
The crystal structure of the title compound, [Cu(C2N3)2(C10H8N2)]n, is formed by neutral zigzag chains of the [–NC–N–CN–Cu{(bpy)N(CN)2}–NC–N–CN–] type running along the c axis (bpy is 2,2′‐bipyridine). The Cu atoms in the chains are pentacoordinated in the form of a distorted tetragonal pyramid, with a CuN5 chromophore. The coordination sites are occupied by two N atoms of one bpy molecule in the basal plane [Cu—N 2.018 (4) and 2.025 (2) Å] and by three terminal N atoms of two dicyanamide ligands. One of the dicyanamide ligands is coordinated in a monodentate fashion through a nitrile N atom in the basal plane [Cu—N 1.963 (4) Å]. The second acts as an end‐to‐end bridging ligand to a neighbouring Cu atom and is coordinated by one nitrile N atom in the basal plane [Cu—N 2.001 (2) Å], while the second nitrile N atom occupies the apical position [Cu—N 2.159 (2) Å] and originates from the bridge connecting another Cu atom. The shortest intrachain Cu?Cu distance is 8.212 (1) Å, as a consequence of the large bridging ligand, whereas the minimum interchain distance between Cu atoms is only 5.77 (7) Å, because of the interdigitation of the chains. 相似文献
16.
Sung‐Nak Choi Sang‐Yub Kim Hae‐Wook Ryu Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m504-m506
In the title compound, [HgCl2(C15H26N2)], the chiral alkaloid (6R,7S,8S,14S)‐(−)‐l ‐sparteine acts as a bidentate ligand, with two Cl− ligands occupying the remaining coordination sites, producing a distorted tetrahedron. The N—Hg—N plane is twisted by 81.1 (2)° from the Cl—Hg—Cl plane. The mid‐point of the N⋯N line does not lie exactly on the Cl—Hg—Cl plane but is tilted towards one of the N atoms by 0.346 Å. Similarly, the mid‐point of the Cl⋯Cl line is tilted toward one of the Cl atoms by 0.163 Å. The packing structure shows that the complex is stabilized by two interatomic Cl⋯H contacts involving both Cl atoms and the methylene or methine H atoms of the (−)‐sparteine ligand. 相似文献
17.
Ri‐Cheng Xuan Min Xu Dong‐Ping Cheng 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m587-m589
In the title compound, [CuCl2(C9H12N2O)], the CuII atom is coordinated by two Cl− anions and two N atoms of one O‐ethyl 3‐methylpyridine‐2‐carboximidic acid molecule in a slightly distorted square‐planar geometry, with Cu—N distances of 2.0483 (17) and 1.9404 (18) Å, and Cu—Cl distances of 2.2805 (10) and 2.2275 (14) Å. In addition, each CuII atom is connected by one Cl− anion and the CuII atom from a neighbouring molecule, with Cu⋯Cl and Cu⋯Cu distances of 2.9098 (13) and 3.4022 (12) Å, respectively, and, therefore, a centrosymmetric dimer is formed. Adjacent molecular dimers are connected by π–π stacking interactions between pyridine rings to form a zigzag molecular chain. The molecular chains are also enforced by N—H⋯Cl and C—H⋯Cl interactions. 相似文献
18.
Zora Popovi Gordana Pavlovi Boris‐Marko Kukovec 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):m181-m183
The title compound, [Cu(C9H5N2O3)2(C2H6OS)2], consists of octahedrally coordinated CuII ions, with the 3‐oxo‐3,4‐dihydroquinoxaline‐2‐carboxylate ligands acting in a bidentate manner [Cu—O = 1.9116 (14) Å and Cu—N = 2.1191 (16) Å] and a dimethyl sulfoxide (DMSO) molecule coordinated axially via the O atom [Cu—O = 2.336 (5) and 2.418 (7) Å for the major and minor disorder components, respectively]. The whole DMSO molecule exhibits positional disorder [0.62 (1):0.38 (1)]. The octahedron around the CuII atom, which lies on an inversion centre, is elongated in the axial direction, exhibiting a Jahn–Teller effect. The ligand exhibits tautomerization by H‐atom transfer from the hydroxyl group at position 3 to the N atom at position 4 of the quinoxaline ring of the ligand. The complex molecules are linked through an intermolecular N—H...O hydrogen bond [N...O = 2.838 (2) Å] formed between the quinoxaline NH group and a carboxylate O atom, and by a weak intermolecular C—H...O hydrogen bond [3.392 (11) Å] formed between a carboxylate O atom and a methyl C atom of the DMSO ligand. There is a weak intramolecular C—H...O hydrogen bond [3.065 (3) Å] formed between a benzene CH group and a carboxylate O atom. 相似文献
19.
Shi‐Dong Qin Miao‐Li Zhu Li‐Ping Lu Si‐Si Feng Hong‐Mei Zhang Pin Yang 《无机化学与普通化学杂志》2005,631(10):1761-1762
The novel dinuclear Ni2+ complex [Ni2(μ‐Cl)(μ‐OAc) (EGTB)]·Cl·ClO4·2CH3OH, where EGTB is N, N, N′, N′‐tetrakis (2‐benzimidazolyl methyl‐1, 4‐di‐ethylene amino)glycol ether, crystallizes in the orthorhombic space group Pnma with a = 15.272(2), b = 14.768(2), c = 22.486(3) Å, V = 5071.4(12) Å3, Z = 4, Dcalc = 1.414 g cm?3, and is bridged by triply bridging agents of a chloride ion, an acetate and an intra‐ligand (‐OCH2CH2O‐) group. The nickel coordination geometry is that of a slightly distorted octahedron with a NiN3O2Cl arrangement of the ligand donor atoms. The Ni–Cl distance is 2.361(2) Å, and two Ni–O distances are 1.996(5) and 2.279(6) Å. The three Ni–N distances are 2.033(7), 2.060(6), and 2.166(6) Å with the Ni–N bond trans to an ether oxygen the shortest, the Ni–N bond trans to an acetate oxygen the middle and the Ni–N bond trans to Cl the longest. 相似文献
20.
Richeng Xuan Weixiao Hu Zhongyu Yang Rirong Xuan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m112-m114
In the crystals of the title compound, [CuCl2(C6H6ClN)2], the Cu atom lies on an inversion centre and is four‐coordinated by two pyridine N atoms and two Cl atoms in trans positions. The coordination geometry is square planar, with Cu—N and Cu—Cl distances of 1.986 (2) and 2.2536 (11) Å, respectively. The two pyridine rings are parallel, but twist from the CuN2Cl2 coordination plane by about 95° in the complex molecule. There are three kinds of intermolecular C—H⃛Cl hydrogen bonds in the crystals. Two of these types generate two‐dimensional molecular networks, viewed in the direction of the a axis, and the other connects adjacent molecular networks. 相似文献