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1.
Li‐Ping Lu Pin Yang Shi‐Dong Qin Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m219-m220
The crystal structure of the title compound, [Cu(C4H10N5)2]·H2O, contains two independent copper N,N‐dimethylbiguanide complex units, each with square‐planar coordination of the Cu atom by four N atoms. The two complexes have different symmetry, with one Cu atom lying on an inversion centre and the other on a twofold rotation axis. The Cu—N bond lengths are 1.923 (2) and 1.950 (2) Å in the centrosymmetric complex, and 1.928 (2) and 1.938 (2) Å in the non‐centrosymmetric complex. The crystal structure is stabilized by N—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds; each water molecule forms four hydrogen bonds involving three different Cu complexes. 相似文献
2.
Jun Hwan Kim Soo‐Gyun Roh Jong Hwa Jeong 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e543-e544
The title compound, [Cu2(C14H23N5)2(CH3O)2](PF6)2, has a doubly methoxo‐bridged centrosymmetric copper dimer cation involving two tridentate bis(pyrazolyl)amine ligands. The geometry of each CuII atom is a distorted square pyramid with two N atoms of the pyrazole in bis[2‐(3,5‐dimethyl‐1‐pyrazolyl)ethyl]amine (bpea) and two μ2‐bridging O atoms of the methoxo ligands forming the basal plane, and the amine N atom occupying the axial position. In the bridging plane, the Cu—O bond lengths are 1.940 (4) and 1.942 (4) Å, and the bond angles for O—Cu—O and Cu—O—Cu are 76.1 (2) and 103.9 (2)°, respectively. The Cu?Cu distance is 3.058 (1) Å. The central four‐membered ring lies on an inversion centre. 相似文献
3.
Tu‐Gen Xu Duan‐Jun Xu Jing‐Yun Wu Michael Y. Chiang 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m615-m616
The title complex, {[Fe(C4H4O4)(H2O)4]}n, is an infinite polymeric compound bridged by the succinate dianion. Two carboxylate groups coordinate in a monodentate manner to the FeII atom, in a trans fashion, with an O—Fe—O bond angle of 175.72 (6)° and Fe—O distances of 2.0886 (14) and 2.1008 (15) Å. One of the uncoordinated carboxylate O atom forms an intramolecular hydrogen bond with a coordinated water molecule. Extensive hydrogen bonding between parallel polymeric complex chains results in a three‐dimensional supramolecular structure. 相似文献
4.
Yang Kim Brian W. Skelton Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m546-m548
In title anhydrous catena‐poly[[trans‐bis(ethane‐1,2‐diamine‐κ2N,N′)copper(II)]‐μ‐dithionato‐κ2O:O′], [Cu(S2O6)(C2H8N2)2]n or [{H2N(CH2)2NH2}2Cu(O·O2SSO2·O)]∞, successive Cu atoms are bridged by a single doubly charged dithionate group, forming a one‐dimensional polymer with inversion centres at the metal atoms and the mid‐point of the S—S bond [Cu—O = 2.5744 (15) Å]. In title (hydrated) trans‐diaquabis(propane‐1,3‐diamine‐κ2N,N′)copper(II) dithionate, [Cu(C3H10N2)2(H2O)2](S2O6) or [{H2N(CH2)3NH2}2Cu(OH2)2](S2O6), both ions have imposed 2/m symmetry. The `axial' anion components are displaced by a pair of water ligands [Cu—O = 2.439 (3) Å], the shorter Cu—O distance being compensated by the lengthened Cu—N distance [2.0443 (18), cf. 2.0100 (13) and 2.0122 (16) Å]. 相似文献
5.
Gareth R. Lewis Alexander J. Blake 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m398-m400
The title complex, [NiCl(C12H16N3O2)2(H2O)]NO3·2CH4O·H2O, was obtained from a methanolic solution of Ni(NO3)2·6H2O, 2‐pyridyl nitronyl nitroxide (2‐NITpy) and (NEt4)2[CoCl4]. The equatorial coordination sites of the octahedral NiII centre are occupied by two chelating radical ligands, with the axial positions occupied by the Cl? and water ligands. The H2O—Ni—Cl axis of the complex lies along a crystallographic twofold axis, so that only half the cation is present in the asymmetric unit. The Ni—Cl bond length [2.3614 (17) Å] is significantly shorter than distances typical of octahedral NiII centres [2.441 (5) Å]. However, with only one nitrate anion per formula unit, the oxidation state of the metal must be assigned as NiII. The 2‐NITpy ligands bend away from the equatorial plane, forming a hydrophobic region around the Cl atoms. Conversely, the ligated water molecule forms moderately strong hydrogen bonds with the disordered methanol solvent molecules, which in turn form interactions with the water of crystallization and the disordered nitrate anion. These interactions combine to give hydrophilic regions throughout the crystal structure. 相似文献
6.
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
7.
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
8.
Jian Huang Yi‐Zhi Li Gang‐Chun Sun Rong‐Bin Dai Qin‐Xi Li Liu‐Fang Wang Chun‐Gu Xia 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e489-e490
In the title complex, [Cu(C6H4FN2O4)2(H2O)4]·4H2O, the Cu atom is located in the centre of a distorted octahedral geometry. The coordination atoms are six O atoms provided by two carboxylate groups [coordinated in a monodentate mode, with Cu—O = 1.9551 (10) Å] and four water molecules [Cu—O = 1.9241 (13) and 2.5771 (14) Å]. In addition, one intramolecular hydrogen bond and ten intermolecular hydrogen bonds make up a three‐dimensional network. 相似文献
9.
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
10.
Zhi‐Yong Wu Duan‐Jun Xu Yue Luo Jing‐Yun Wu Michael Y. Chiang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m307-m309
The title compound, [Cu(C4H4O5)(C6H6N4S2)]·H2O, displays a square‐pyramidal coordination geometry. The tridentate oxydiacetate dianion chelates the CuII atom in the facial mode. The large difference [0.487 (4) Å] between the longest Cu—O distance in the basal plane and that in the apical direction correlates with the small displacement of the CuII atom [0.0576 (13) Å] from the basal plane towards the apex of the square pyramid. The intermolecular hydrogen‐bonding network results in a closely overlapped arrangement of the coordination basal plane and the thiazole ring of a neighboring molecule. 相似文献
11.
Allison M. Mills Kristel Flinzner Arno F. Stassen Jaap G. Haasnoot Anthony L. Spek 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m243-m245
In the title complex, [Cu(BF4)2(1tpc)4] [1tpc is 1‐(3‐chloropropyl)‐1,2,4‐triazole, C5H8ClN3], the copper(II) centres reside in a tetragonally distorted octahedral coordination environment. Four 1tpc ligands are coordinated to the metal atom via the N4 atom of the triazole rings in a square‐planar arrangement, with Cu—N bond lengths in the range 2.002 (2)–2.019 (2) Å. Two tetrafluoroborate anions, in the axial positions above and below the square plane, are weakly coordinated to the copper(II) centre, with Cu—F distances of 2.4009 (18) and 2.5096 (18) Å. 相似文献
12.
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
13.
Zora Popovi
eljka Soldin Gordana Pavlovi 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m272-m274
The title compound, [Hg(C6H4NO2)I(C6H5NO2)], has twofold symmetry along the Hg—I bond. The HgII ion coordinates one I atom [at 2.6045 (4) Å], two N and two O atoms [at 2.298 (3) and 2.481 (2) Å] from one picolinate ion, and one picolinic acid molecule in a very irregular trigonal–bipyramidal coordination. The single hydroxy H atom required for chemical neutrality is both statistically (by crystal symmetry) and structurally disordered, and is involved in an intermolecular O—H⋯O hydrogen bond [O⋯O = 2.455 (4) Å], connecting the molecules into one‐dimensional infinite chains along the [101] direction. 相似文献
14.
Kanidtha Hansongnern Uraiwan Saeteaw Jack Cheng Fen‐Ling Liao Tian‐Huey Lu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):895-896
The Ru—N bond distances in the title complex, [Ru(NO2)(C11H9N3)(C15H11N3)]BF4 or [Ru(NO2)(tpy)(azpy)]BF4, [tpy is 2,2′:6′,2′′‐terpyridine and azpy is 2‐(phenylazo)pyridine], are Ru—Npy 2.063 (4), Ru—Nazo 2.036 (4), Ru—Nnitro 2.066 (3) Å, and Ru—Ntpy 2.082 (4), 1.982 (3) and 2.074 (4) Å. The azo N atom is trans to the nitro group. The azo N=N bond length is 1.265 (5) Å, which is the shortest found in such complexes to date. This indicates a multiple bond between Ru and the N atom of the nitro group, and π‐backbonding [dπ(Ru) π*(azo)] is decreased. 相似文献
15.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m136-m138
In the title compound, [Na4(C8H16BO4)4(C4H10O2)]n, there are two coordination types for the four independent Na+ cations: two Na+ cations bond to six diolate O atoms [Na—O = 2.305 (2)–2.609 (2) Å], while the other two are five‐coordinate via one 1,4‐butanediol [2.289 (2) and 2.349 (3) Å] and four diolate O atoms [2.295 (2)–2.408 (2) Å]. Corresponding to this, there are three‐ and four‐coordinate diolate O atoms, the latter bridging Na atoms. The 1,4‐butanediol molecules lie on inversion centres. The boron stereochemistry shows minor local perturbations from its usual tetrahedral state [B—O = 1.457 (4)–1.503 (4) Å]. The resulting polymer packs as sheets parallel to the (10) plane crosslinked by the butanediol molecules. The structure was solved using data from a multiple crystal. 相似文献
16.
Huub Kooijman Anthony L. Spek Gerard A. van Albada Patrick Gamez Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m51-m54
In the crystal structure of [Cu(CF3SO3)(C2N3)(C8H7N5)2]·0.5C2H6O, the CuII atom adopts a distorted octahedral geometry, with the basal plane formed by two N atoms of one dipyrimidinylamine ligand, one N atom of the second pyrimidine ligand and a nitrile N atom of the dicyanamide anion [Cu—N = 1.972 (2)–2.021 (2) Å]. The apical positions are occupied by an N atom of the second ligand [Cu—N = 2.208 (2) Å], and an O atom of the trifluoromethanesulfonate anion [Cu—O = 2.747 (2) Å] at a semi‐coordination distance. Pairs of inversion‐related N—H⋯N hydrogen bonds of the so‐called Watson–Crick type, augmented by two C—H⋯N contacts, link adjacent complexes into an infinite one‐dimensional chain running in the [101] direction. 相似文献
17.
Xin‐Yi Cao Jian Zhang Yao Kang Jian‐Kai Cheng Zhao‐Ji Li Xiao‐Qin Wang Yi‐Hang Wen Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m350-m352
In the title compound, {[Zn(C8H4O5)(C12H8N2)]·H2O}n or {[Zn(OH‐BDC)(phen)]·H2O}n (where OH‐H2BDC is 5‐hydroxyisophthalic acid and phen is 1,10‐phenanthroline), the Zn atoms are coordinated by two N atoms from the phen ligands and by four O atoms from hydroxyisophthalate ligands in a highly distorted octahedral geometry, with Zn—O distances in the range 2.042 (4)–2.085 (5) Å and Zn—N distances of 2.133 (5) and 2.137 (5) Å. The {[Zn(OH‐BDC)(phen)]·H2O}n infinite zigzag polymer forms a helical chain of [Zn2(OH‐BDC)2]n units. Face‐to‐face π–π interactions (3.60–3.75 Å) occur between two phen rings belonging to the same helical chain. Consolidation of the packing structure is achieved by O—H⋯O hydrogen‐bonding interactions between the carboxylate O atoms, the hydroxyl group and the water molecule, forming two‐dimensional sheets. 相似文献
18.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m218-m220
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carboxamide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water molecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octahedrally surrounded by four O atoms of two water molecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O intermolecular hydrogen‐bond interactions, forming an extensive three‐dimensional network. 相似文献
19.
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
20.
Aarne Pajunen Fernando Cmara Jose M. Dominques‐Vera Enrique Colacio 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e49-e50
In the title compound, [Cu(C10H18N5)(CH4O)]ClO4, four N atoms from the deprotonated ligand derived from bis(3‐aminopropyl)amine and 2‐imidazolecarboxaldehyde are coordinated to the Cu atom. The four N atoms occupy equatorial positions with Cu—N bond distances ranging from 1.998 (2) to 2.046 (3) Å. The methanol O atom occupies one axial position with a Cu—O bond distance of 2.295 (2) Å. 相似文献