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1.
Jacek Zaleski Mieczysaw Gabryszewski Bartosz Zarychta 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m151-m154
The copper(II) environments for tetrakis(1‐ethyl‐1,2,4‐triazole)dinitratocopper(II), [Cu(NO3)2(C4H7N3)4], and tetrakis(1‐propyl‐1,2,4‐triazole)dinitratocopper(II), [Cu(NO3)2(C5H9N3)4], are distorted square bipyramidal. Both structures are centrosymmetric, with the copper(II) ions located at inversion centers coordinated by four N atoms of four triazole molecules and by two O atoms of two nitrate ions in an elongated octahedral geometry. This elongation is a result of the Jahn–Teller effect. The largest distortion is that of the N—Cu—O angles, which differ from 90° by 5.68 (10)° in the ethyl and 5.59 (8)° in the propyl derivative. 相似文献
2.
Ming‐Liang Tong Wei Li Xiao‐Ming Chen Shao‐Liang Zheng Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m232-m234
The title compound, [Cu2(C2H3O2)4(C11H9N)2] or [Cu2(MeCO2)4(phpy)2] (phpy is 4‐phenylpyridine), consists of centrosymmetric dimers in which the CuII atoms display a square‐pyramidal CuO4N coordination, with four acetate O atoms in the basal plane [Cu—O 1.975 (3)–1.987 (3) Å] and the phpy N atom in the apical position [Cu—N 2.150 (3) Å]. The Cu atoms are 2.654 (1) Å apart and are bridged by four acetate groups. The discrete dimers are extended into a three‐dimensional supramolecular array through intermolecular π–π‐stacking interactions. 相似文献
3.
Dario Rojas Jorge Manzur Ana María García Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m115-m116
The title compound corresponds to a copper(II) dimer, [Cu2(OH)2(C2H3N)2(C21H22N2)2](ClO4)2, where the metal centres are μ2‐bridged by hydroxo groups. The coordination of each copper(II) centre is a slightly distorted square‐based pyramid, with two N atoms from dibenzyl(6‐methyl‐2‐pyridylmethyl)amine (BiBzMePMA) and two hydroxo O atoms occupying the basal positions, and the acetonitrile N atom at the apical position. The dimer is centrosymmetric, with a crystallographic inversion centre midway between the two Cu atoms [Cu⋯Cu = 2.9522 (9) Å] 相似文献
4.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m401-m403
In the crystal structure of the title compound {systematic name: bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]bis(3‐methylpyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], 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 because of the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two methylpyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two intermolecular C—H⋯O interactions involving the methyl and CH groups, and the sulfonyl O atoms of the acesulfamate group. 相似文献
5.
Jan Moncol Klaudia Jomova Lubomir Zelenicky Tadeusz Lis Marian Valko 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(9):m318-m320
The title compound, [Cu4(C7H4ClO2)4(C6H6NO)4], consists of isolated tetranuclear clusters, where the Cu2+ cations are five‐ and sixfold coordinated by O atoms from the 4‐chlorobenzoate anions and by pyridine N and methanolate O atoms from bidentate 2‐pyridylmethanolate ligands. While three Cu atoms are six‐coordinated by an NO5 donor set forming distorted octahedra, the fourth Cu atom is five‐coordinated by an NO4 donor set forming a distorted tetragonal–pyramidal coordination around the Cu atom. The nucleus is a deformed cubane‐like Cu4O4 structure, with Cu...Cu distances in the range 3.0266 (11)–3.5144 (13) Å. 相似文献
6.
Jun Luo Bao‐Shu Liu Xi‐Geng Zhou Lin‐Hong Weng Yan‐Rong Li Hui‐Xia Wu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m520-m522
Two new complexes, [Co(C2N3)2(C8H6N2)2], (I), and [Cu(C2N3)2(C8H6N2)2], (II), are reported. They are essentially isomorphous. Complex (I) displays distorted octahedral geometry, with the Co atom coordinated by four dicyanamide nitrile N atoms [Co—N = 2.098 (3) and 2.104 (3) Å] in the basal plane, along with two monodentate quinoxaline N atoms [Co—N = 2.257 (2) Å] in the apical positions. In complex (II), the Cu atom is surrounded by four dicyanamide nitrile N atoms [Cu—N = 2.003 (3) and 2.005 (3) Å] in the equatorial plane and two monodentate quinoxaline N atoms [Cu—N = 2.479 (3) Å] in the axial sites, to form a distorted tetragonal–bipyramidal geometry. The metal atoms reside on twofold axes of rotation. Neighbouring metal atoms are connected via double dicyanamide bridges to form one‐dimensional infinite chains. Adjacent chains are then linked by π–π stacking interactions of the quinoxaline molecules, resulting in the formation of a three‐dimensional structure. 相似文献
7.
M. Ramos Silva A. Matos Beja J. A. Paixo J. Martin‐Gil 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m380-m382
The title compound, [Cu4Cl8(C4H9NO2)4], crystallizes in the centrosymmetric space group P21/c with a unit cell containing two tetranuclear copper(II) complexes sited on crystallographic inversion centres. The coordination geometry around the central Cu atoms is square pyramidal, with four O atoms in the basal plane and a Cl atom in the apical position. The lateral CuCl4 groups are flattened tetrahedral. The bridging dimethylglycine molecules are present in the dipolar zwitterionic form. The tetranuclear copper complexes exist as isolated entities since only intramolecular hydrogen bonds are found. 相似文献
8.
Ziliang Wang Linheng Wei 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(12):m481-m484
The title two‐dimensional hydrogen‐bonded coordination compounds, [Cu(C8H5O4)2(C4H6N2)2], (I), and [Cu(C8H7O2)2(C4H6N2)2]·H2O, (II), have been synthesized and structurally characterized. The molecule of complex (I) lies across an inversion centre, and the Cu2+ ion is coordinated by two N atoms from two 4‐methyl‐1H‐imidazole (4‐MeIM) molecules and two O atoms from two 3‐carboxybenzoate (HBDC−) anions in a square‐planar geometry. Adjacent molecules are linked through intermolecular N—H...O and O—H...O hydrogen bonds into a two‐dimensional sheet with (4,4) topology. In the asymmetric part of the unit cell of (II) there are two symmetry‐independent molecules, in which each Cu2+ ion is also coordinated by two N atoms from two 4‐MeIM molecules and two O atoms from two 3‐methylbenzoate (3‐MeBC−) anions in a square‐planar coordination. Two neutral complex molecules are held together via N—H...O(carboxylate) hydrogen bonds to generate a dimeric pair, which is further linked via discrete water molecules into a two‐dimensional network with the Schläfli symbol (43)2(46,66,83). In both compounds, as well as the strong intermolecular hydrogen bonds, π–π interactions also stabilize the crystal stacking. 相似文献
9.
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
10.
The title complex, [Ag4(C7H5O3)2(C8H6N2)4(C7H6O3)4], lies about an inversion centre and has a unique tetranuclear structure consisting of four AgI atoms bridged by four N atoms from two 1,8‐naphthyridine (napy) ligands to form an N:N′‐bridge and four O atoms from two salicylate (SA) ligands to form an O:O′‐bridge. The Ag atoms have distorted octahedral coordination geometry. The centrosymmetric Ag4 ring has Ag—Ag separations of 2.772 (2) and 3.127 (2) Å, and Ag—Ag—Ag angles of 107.70 (4) and 72.30 (4)°. All SA hydroxy groups take part in intramolecular O—H⋯O hydrogen bonding. In the crystal packing, the napy rings are oriented parallel and overlap one another. These π–π interactions, together with weak intermolecular C—H⋯O contacts, stabilize the crystal structure. 相似文献
11.
Peter D.W. Boyd Paul M. Johns Clifton E.F. Rickard 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m590-m593
The title compounds, [CuFe2(C5H5)2(C9H8O2)2], (I), and [CuFe4(C5H5)4(C13H9O2)2], (II), are four‐coordinate square‐planar copper(II) complexes with two bidentate 1‐ferrocenylbutane‐1,3‐dionate or 1,3‐diferrocenylpropane‐1,3‐dionate ligands, respectively. The copper ion in (I) lies on an inversion centre, with one‐half of the molecule in the asymmetric unit, while in (II), there are two independent half molecules in the asymmetric unit, with the copper ions also situated on inversion centres. The ferrocene substituents in (I) are in an anti arrangement. The molecules assemble in the crystal structure in layers with ferrocene groups at the surface. The pairs of ferrocene substituents on each ligand in complex (II) are syn and these adopt an anti arrangement with respect to the pair on the other diketonate ligand. As found in (I), complexes assemble in a layered structure with ferrocene‐coated surfaces. 相似文献
12.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m510-m512
The title compound, [Cu(C7H5O3)2(C6H6N2O)2(H2O)2], is a two‐dimensional hydrogen‐bonded supramolecular complex. The CuII ion resides on a centre of symmetry and is in an octahedral coordination environment comprising two pyridine N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(4), R22(8) and R22(15) rings which lead to one‐dimensional polymeric chains. An extensive two‐dimensional network of N—H...O and O—H...O hydrogen bonds and C—H...π interactions are responsible for crystal stabilization. 相似文献
13.
Myeong‐Jin Oh Hee‐Jin Kim Sung Kwon Kang Sung‐Nak Choi Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):m153-m155
The solvent effect on the molecular structures of copper(II) complexes produced from the reaction between CuBr2 and 1,10‐phenanthroline is evident. The momomeric title compound, [CuBr2(C12H8N2)(C2H6OS)], which consists of discrete units, is produced from this reaction in dimethyl sulfoxide (DMSO), whereas a polymeric copper(II) compound is known to be produced from the same reaction in the poor coordinating solvent ethanol. The geometry around the copper(II) ion in the title compound is best described as trigonal–bipyramidal distorted square‐based pyramidal, with a τ value of 0.37. The two phenanthroline N atoms, the DMSO O atom and one of the Br atoms occupy the four basal positions, while the second Br atom occupies the axial position. The magnetic susceptibility data also indicate that the title compound is monomeric, but there is still a weak antiferromagnetic interaction between paramagnetic copper(II) centers via the intermolecular `Cu—Br...Br—Cu' contact pathway. 相似文献
14.
Birinchi K. Das Rama K. Barman 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1025-1026
The title compound, [Cu2(C2H3O2)4(C6H4N2)2], has the familiar lantern‐type structure that is characteristic of dimetal tetracarboxylates of copper and several other transition elements. The molecule lies about an inversion centre and the Cu atom is present in a distorted square‐pyramidal coordination environment, consisting of four O atoms in equatorial positions and the pyridyl‐N atoms of the two 4‐cyanopyridine ligands in axial positions. 相似文献
15.
Ana María Atria Gino Corsini Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(11):m342-m345
In the title polymeric compound, [Cu(C9H6O4)(C3H4N2)2]n, the copper(II) cation occupies an N2O3 coordination sphere defined by two 1H‐imidazole (imid) ligands in trans positions and three carboxylate O atoms from three different 2‐(carboxylatomethyl)benzoate (hpt2−) dianions. The geometry is that of a square pyramid with one of the O atoms at the apex, bridging neighbouring metal centres into an [–ON2CuO2CuN2O–] dinuclear unit. These units are in turn connected by hpt anions into a reticular mesh topologically characterized by two types of loops, viz. a four‐membered Cu2O2 diamond motif and a 32‐membered Cu4O8C20 ring. The imid groups do not take part in the formation of the two‐dimensional structure, but take part in the N—H...O interactions. These arise only within individual planes, interplanar interactions being only of the van der Waals type. 相似文献
16.
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
17.
A novel dinuclear bismuth(III) coordination compound, [Bi2(C7H3NO4)2(N3)2(C12H8N2)2]·4H2O, has been synthesized by an ionothermal method and characterized by elemental analysis, energy‐dispersive X‐ray spectroscopy, IR, X‐ray photoelectron spectroscopy and single‐crystal X‐ray diffraction. The molecular structure consists of one centrosymmetric dinuclear neutral fragment and four water molecules. Within the dinuclear fragment, each BiIII centre is seven‐coordinated by three O atoms and four N atoms. The coordination geometry of each BiIII atom is distorted pentagonal–bipyramidal (BiO3N4), with one azide N atom and one bridging carboxylate O atom located in axial positions. The carboxylate O atoms and water molecules are assembled via O—H...O hydrogen bonds, resulting in the formation of a three‐dimensional supramolecular structure. Two types of π–π stacking interactions are found, with centroid‐to‐centroid distances of 3.461 (4) and 3.641 (4) Å. 相似文献
18.
Jun Luo Xi‐Geng Zhou Lin‐Hong Weng Xiu‐Feng Hou 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m392-m395
Two new complexes, [Cu(C2N3)2(dien)] (dien is diethylenetriamine, C4H13N3), (I), and [Cu(C2N3)(trien)](C2N3) (trien is triethylenetetramine, C6H18N4), (II), have been characterized by single‐crystal X‐ray diffraction. Both complexes display a distorted tetragonal–pyramidal geometry. In (I), the Cu atom is coordinated in the basal plane by three diethylenetriamine N atoms [Cu—N = 2.000 (2), 2.004 (2) and 2.025 (2) Å] and one terminal N atom [Cu—N = 1.974 (2) Å] from one monodentate dicyanamide group, and in the apical position by one terminal N atom [Cu—N = 2.280 (2) Å] from the other monodentate dicyanamide group. In (II), the Cu atom is surrounded by four triethylenetetramine N atoms [Cu—N = 2.012 (2), 2.014 (2), 2.019 (2) and 2.031 (2) Å in the basal plane] and a terminal N atom [Cu—N = 2.130 (2) Å in the apical site] from one monodentate dicyanamide group. The other dicyanamide anion is not directly coordinated to the metal atom. In both (I) and (II), hydrogen‐bond interactions between the uncoordinated terminal N atoms of two dicyanamide ions and the amine H atoms lead to the formation of three‐dimensional networks. 相似文献
19.
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
20.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m13-m15
In the crystal structure of the title compound [systematic name: diaquabis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathiazin‐4‐olato‐κO4)bis(3‐methylpyridine‐κN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the NiII centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are π–π stacking interactions between the molecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O interactions between the columns. 相似文献