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1.
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
2.
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
3.
Veysel T. Yilmaz Sema Caglar William T. A. Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m35-m38
The structures of trans‐bis[2‐(aminomethyl)pyridine‐κ2N,N′]bis(saccharinato‐κN)zinc(II), [Zn(C7H4NO3S)2(C6H8N2)2], (I), and [2‐(aminoethyl)pyridine‐κ2N,N′]bis(saccharinato‐κN)zinc(II), [Zn(C7H4NO3S)2(C7H10N2)], (II), exhibit octa‐ and tetrahedrally coordinated ZnII atoms, respectively. The diamine ligands behave as N,N′‐bidentate ligands, while saccharinate (sac) is coordinated through the N atom. In (I), the complex lies about an inversion centre with the Zn atom disordered and displaced by 0.256 (2) Å from a centre of symmetry towards a sac N atom. The crystal structure of (I) is stabilized by N—H⋯O hydrogen bonds and the crystal packing of (II) is determined by hydrogen bonding as well as weak π–π stacking interactions between the sac ligands. 相似文献
4.
Hong‐Xi Li Yong Zang Mei‐Ling Cheng Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m74-m77
The Zn atom in dichloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]zinc(II), [ZnCl2(C11H16N4)], (I), is tetrahedrally coordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand and two terminal Cl atoms. The molecule has no crystallographic symmetry. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to yield intermolecular C—H⋯Cl contacts, thereby forming a one‐dimensional zigzag chain extending along the b axis. On the other hand, in di‐μ‐chloro‐bis{chloro[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methane]cadmium(II)}, [Cd2Cl4(C11H16N4)2], (II), each of the two crystallographically equivalent Cd atoms is pentacoordinated by two N atoms from one bis(3,5‐dimethylpyrazolyl)methane ligand, and by one terminal and two bridging Cl− anions. The molecule has a crystallographic centre of symmetry located at the mid‐point of the Cd⋯Cd line. One H atom of the CH2 group of the bis(3,5‐dimethylpyrazolyl)methane ligand interacts with a Cl atom of an adjacent molecule to produce pairwise intermolecular C—H⋯Cl contacts, thereby affording chains of molecules running along the c axis. 相似文献
5.
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
6.
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
7.
Hasan budak Ahmet Bulut Naziye etin Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m1-m3
The crystal structure of the first acesulfame–metal complex, namely tetraaquabis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐onato 2,2‐dioxide‐κN]cobalt(II), [Co(C4H4NO4S)2(H2O)4], is reported. The CoII ion resides on a twofold axis and is coordinated by four aqua ligands defining the basal plane and by two monodentate acesulfamate ligands, via their ring N atoms, in the axial positions. Two intra‐ and three intermolecular hydrogen‐bonding interactions stabilize the crystal structure and form an infinite three‐dimensional lattice. 相似文献
8.
Volodimir D. Vreshch Andrey B. Lysenko Harald Krautscheid Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m443-m447
In bis[1‐(3‐pyridyl)butane‐1,3‐dionato]copper(II) (the Cu atom occupies a centre of inversion), [Cu(C9H8NO2)2], (I), and bis[1‐(4‐pyridyl)butane‐1,3‐dionato]copper(II) methanol solvate, [Cu(C9H8NO2)2]·CH3OH, (II), the O,O′‐chelating diketonate ligands support square‐planar coordination of the metal ions [Cu—O = 1.948 (1)–1.965 (1) Å]. Weaker Cu⋯N interactions [2.405 (2)–2.499 (2) Å], at both axial sides, occur between symmetry‐related bis(1‐pyridylbutane‐1,3‐dionato)copper(II) molecules. This causes their self‐organization into two‐dimensional square‐grid frameworks, with uniform [6.48 Å for (I)] or alternating [4.72 and 6.66 Å for (II)] interlayer separations. Guest methanol molecules in (II) reside between the distal layers and form weak hydrogen bonds to coordinated O atoms [O⋯O = 3.018 (4) Å]. 相似文献
9.
Nobuo Okabe Naomi Oya 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1416-1417
In the structure of the title compound, [Mn2(C7H3NO4)2(H2O)6]·2C7H5NO4, a centrosymmetric dinuclear complex, hexaaaquabis(pyridine‐2,6‐dicarboxylato)dimanganese(II) and free pyridine‐2,6‐dicarboxylic acid are present in a 1:2 ratio. In the complex, each Mn2+ ion is coordinated by three O atoms and one N atom from the pyridine‐2,6‐dicarboxylate ligands and by three water O atoms, resulting in a distorted pentagonal bipyramidal coordination. Within the centrosymmetric dinuclear complex, two Mn2+ ions are bridged by two carboxylate O atoms. The crystal structure is stabilized by hydrogen bonds involving all the H atoms of the water ligands. 相似文献
10.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m266-m268
In the crystal structure of the synthetically prepared title compound, [Cu(C14H12N2)2](C4HO4)·0.5H2O or [Cu(dmphen)2](HSq)·0.5H2O (dmphen is 2,9‐dimethyl‐1,10‐phenanthroline or neocuproine and HSq is hydrogen squarate), the CuI centre has distorted tetrahedral coordination geometry comprised of four N atoms from two bidentate dmphen ligands. The squarate monoanions form a ten‐membered dimer, graph set R22(10), linked by two strong intermolecular O—H⋯O hydrogen bonds. These squarate dimers are linked into chains that propagate along the [100] direction. An extensive three‐dimensional network of C—H⋯O hydrogen bonds and π–π interactions is responsible for stabilization of the crystal structure. 相似文献
11.
Shu‐Qin Liu Hisashi Konaka Takayoshi Kuroda‐Sowa Gui‐Ling Ning Megumu Munakata 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m194-m196
In the title complex, [Ag2(C7H4NO4)2(C16H16S2)], each AgI atom is trigonally coordinated by one S atom of a 2,11‐dithia[3.3]paracyclophane (dtpcp) ligand, and by one N and one O atom of a 6‐carboxypyridine‐2‐carboxylate ligand. Dtpcp acts as a bidentate ligand, bridging two inversion‐related AgI atoms to give a dinuclear silver(I) compound. The dinuclear moieties are interconnected via O—H·O hydrogen bonds to form a two‐dimensional zigzag sheet. Two such sheets are interwoven viaπ–π interactions between pyridine rings, affording an interwoven bilayer network. 相似文献
12.
Cengiz Arici Filiz Ercan Raif Kurtaran Orhan Atakol 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):812-814
In the title compounds, {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}nickel(II), [Ni(C19H20N2O2)], and {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}copper(II), [Cu(C19H20N2O2)], the NiII and CuII atoms are coordinated by two iminic N and two phenolic O atoms of the N,N′‐bis(salicylidene)‐2,2‐dimethyl‐1,3‐propanediaminate (SALPD2?, C17H16N2O22?) ligand. The geometry of the coordination sphere is planar in the case of the NiII complex and distorted towards tetrahedral for the CuII complex. Both complexes have a cis configuration imposed by the chelate ligand. The dihedral angles between the N/Ni/O and N/Cu/O coordination planes are 17.20 (6) and 35.13 (7)°, respectively. 相似文献
13.
brahim Uar Ahmet Bulut Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m428-m431
The asymmetric unit of the title compound, {[Pb(C4O4)(C12H8N2)2(H2O)]·2H2O}n, contains one squarate dianion, two phenanthroline (phen) ligands and one aqua ligand all coordinated to Pb, and two solvent water molecules. The eight‐coordinate Pb metal ion displays a distorted bicapped trigonal–prismatic coordination environment, defined by three squarate O atoms, four N atoms from two chelating phen ligands and one O atom from the coordinated water molecule. The crystal structure contains chains of squarate‐1,2,3‐bridged PbII ions running in the [010] direction. These polymeric chains are linked to one another via offset face‐to‐face π–π interactions between the phen ligands, which lead to a two‐dimensional network extending along the (001) plane. The crystal structure is also stabilized by O—H⋯O intermolecular hydrogen‐bond interactions, forming a three‐dimensional network. 相似文献
14.
Fen Sun Yan‐Tuan Li Zhi‐Yong Wu Yu‐Lan Song Man Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m584-m586
The structure of the title compound, [Cu2(C12H24N4O2)(C3H4N2)2(CH4O)2](ClO4)2 or [Cu2(dmoxpn)(HIm)2(CH3OH)2](ClO4)2, where dmoxpn is the dianion of N,N′‐bis[3‐(dimethylamino)propyl]oxamide and HIm is imidazole, consists of a centrosymmetric trans‐oxamidate‐bridged copper(II) binuclear cation, having an inversion centre at the mid‐point of the central C—C bond, and two perchlorate anions. The CuII atom has square‐pyramidal coordination geometry involving two N atoms and an O atom from the dmoxpn ligand, an N atom from an imidazole ring, and an O atom from a methanol molecule. The crystal structure is stabilized by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds and imidazole π–π stacking interactions to form a three‐dimensional supramolecular array. 相似文献
15.
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
16.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu Ning‐Yu Xiao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m111-m113
In the crystal structure of the title complex, [Ni2(C10H20N4O2)(C12H12N2)2](ClO4)2 or [Ni(dmaeoxd)Ni(dmbp)2](ClO4)2 {H2dmaeoxd is N,N′‐bis[2‐(dimethylamino)ethyl]oxamide and dmbp is 4,4′‐dimethyl‐2,2′‐bipyridine}, the deprotonated dmaeoxd2− ligand is in a cis conformation and bridges two NiII atoms, one of which is located in a slightly distorted square‐planar environment, while the other is in an irregular octahedral environment. The cation is located on a twofold symmetry axis running through both Ni atoms. The dmaeoxd2− ligands interact with each other via C—H⋯O hydrogen bonds and π–π interactions, which results in an extended chain along the c axis. 相似文献
17.
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
18.
Udo Beckmann Sally Brooker 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o653-o655
The structure of the cocrystallized 1:1 adduct of (S,S)‐4‐amino‐3,5‐bis(1‐hydroxyethyl)‐1,2,4‐triazole and (S,S)‐1,2‐bis(2‐hydroxypropionyl)hydrazine, C6H12N4O2·C6H12N2O4, has tetragonal symmetry. All eight O‐ and N‐bound H atoms are involved in intermolecular hydrogen bonds, resulting in infinite zigzag chains of the triazole molecules, with the hydrazine molecules filling the gaps between the chains and completing a three‐dimensional hydrogen‐bonded array. 相似文献
19.
Yan‐Fen Peng Xun‐Gao Liu Bao‐Zong Li Yong Zhang Bao‐Long Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m333-m336
In the title complex, poly[copper(II)‐di‐μ2‐thiocyanato‐μ2‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene], [Cu(NCS)2(C12H12N6)]n, the CuII atom lies on an inversion centre in a tetragonally distorted octahedral environment. Four N atoms from thiocyanate and 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (bbtz) ligands fill the equatorial positions, and S atoms from symmetry‐related thiocyanate ligands fill the axial positions. The benzene ring of the bbtz ligand lies about an inversion centre. Single thiocyanate bridges link the CuII atoms into two‐dimensional sheets containing an unprecedented 16‐membered [Cu4(μ‐NCS‐N:S)4] ring. The bbtz ligands further link the two‐dimensional sheets into a three‐dimensional network. 相似文献
20.
Juan Granifo María Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m56-m59
The structures of the two title isomeric compounds, [Zn(C5H7O2)2(C12H10N4)]n, are built up around two non‐equivalent symmetry centres, one of them at the cation position and the other bisecting the N—N bond in the 1,4‐bis(3/4‐pyridyl)‐2,3‐diazabuta‐1,3‐diene (3pdb/4pdb) units. Both Zn cations have the Zn atoms an inversion centres and present tetragonally distorted octahedral environments, but differences in their linkage through the 3pdb and 4pdb ligands give rise to differently shaped weakly interacting chains. 相似文献