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1.
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
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.
Zofia Olejnik Tadeusz Lis 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1310-1311
The title compound, [Mn(CF3COO)2(H2O)4], crystallizes in the monoclinic space group C2/c. At about 215 K, it undergoes a reversible phase transition, which leads to crystal twinning. The crystal structure of the high‐temperature phase was determined at 220 K. The Mn2+ ion lies on a twofold axis and is octahedrally coordinated by two monodentate trifluoroacetate ligands in apical positions and by four equatorial aqua ligands, two of which lie on the twofold axis. Hydrogen‐bonding interactions connect the complex molecules, generating a three–dimensional network. 相似文献
4.
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
5.
Cheng‐Bing Ma Feng Chen Chun‐Xia Zhang Ming‐Qiang Hu Chang‐Neng Chen Qiu‐Tian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m285-m287
The polymeric title complex, {[Mn(C4H4O4)(C10H8N2)(H2O)]·0.5C10H8N2}n, possesses a three‐dimensional open‐framework structure, with the solvate 4,4′‐bipyridine (bipy) molecules, which lie around centers of inversion, clathrated in the channels of the framework. The MnII center is surrounded by three succinate (succ) ligands, one water molecule and two bipy ligands, and displays a slightly distorted octahedral coordination environment, with cis angles ranging from 84.14 (12) to 96.56 (11)°. Each succ dianion coordinates to three MnII atoms, thus acting as a bridging tridentate ligand; in turn, the MnII atoms are bridged by three succ ligands, thus forming a two‐dimensional Mn–succ sheet pillared by the bridging bipy ligands. Two hydrogen‐bonding interactions, involving the water molecules and the carboxy O atoms of the succ ligands, are present in the crystal structure. 相似文献
6.
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
7.
Yi‐Hang Wen Jian Zhang Jian‐Kai Cheng Zhao‐Ji Li Ye‐Yan Qin Yao Kang Rui‐Feng Hu Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m248-m249
The crystal structure of the title compound, [Zn(C5H5NS)4](NO3)2, consists of a [Zn(C5H5NS)4]2+ (C5H5NS is pyridinium‐2‐thiolate) cation and two nitrate anions. The central ZnII atom lies at a site with imposed symmetry and is surrounded by four S atoms [Zn—S = 2.3371 (5) Å] from four symmetrical pyridinium‐2‐thiolate ligands in a distorted tetrahedral geometry. There are N—H⋯O hydrogen‐bonding interactions between the pyridinium‐2‐thiolate ligands and nitrate O atoms. In addition, π–π interactions via aromatic N‐containing ligands are discussed. 相似文献
8.
Bao‐Zong Li Yan‐Fen Peng Yu‐Ping Zhang Bao‐Long Li Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m560-m562
In the crystal structure of the title complex, poly[[diazidocobalt(II)]‐di‐μ‐1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene‐κ4N4:N4′], [Co(N3)2(bbtz)2]n, where bbtz is 1,4‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene (C12H12N6), the CoII atom, which lies on an inversion centre, is six‐coordinated by four N atoms from four bbtz ligands and by two N atoms from two azide ligands, in a distorted octahedral coordination environment. The CoII atoms are bridged by four bbtz ligands to form a two‐dimensional [4,4]‐network. 相似文献
9.
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
10.
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
11.
eljko K. Jaimovi Zoran D. Tomi Gerald Giester Vukadin M. Leovac 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m381-m383
In the crystal structure of the title complex, [Co(C6H8N3S)3], the CoIII atom is octahedrally coordinated by three monodeprotonated bidentate 3,5‐dimethyl‐1H‐pyrazole‐1‐thiocarboxamide ligands with two thiocarboxamide N atoms in axial positions. The asymmetric unit contains two molecules (A and B) and these molecules are arranged in chains in an alternating fashion connected by N—H⋯S interactions. 相似文献
12.
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
13.
Bao‐Long Li Xia Zhu Jun‐Hui Zhou Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m373-m374
In the crystal structure of the title complex, poly[[diazidomanganese(II)]‐di‐μ‐1,2‐bis(imidazol‐1‐yl)ethane‐κ4N3:N3′], [Mn(N3)2(C8H10N4)2]n or [Mn(N3)2(bim)2]n, where bim is 1,2‐bis(imidazol‐1‐yl)ethane, each MnII atom is six‐coordinated in a distorted octahedral coordination environment to four N atoms from four bim ligands and two N atoms from two azide ligands. The MnII atoms, which lie on inversion centres, are bridged by four bim ligands to form a two‐dimensional (4,4)‐network. The azide ligands are monodentate (terminal). 相似文献
14.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Hui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m348-m350
In the title coordination polymer, [Ba(1,3‐BDOA)(H2O)2]n (where 1,3‐BDOA2− is the m‐phenylenedioxydiacetate dianion, C10H8O6), each BaII ion is ten‐coordinated by six carboxyl O atoms and two ether O atoms from different 1,3‐BDOA2− ligands, as well as by two water molecules, thus defining a dodecahedron. The BaII atoms are covalently linked by 1,3‐BDOA2− ligands in different crystallographic directions, giving rise to a three‐dimensional open framework. The crystal structure is further stabilized by hydrogen bonds and π–π stacking interactions. In previously studied polymers of this type, the 1,3‐BDOA2− ligand showed multiple bridging modes with metal ions, including bi‐, tri‐, tetra‐ and hexadentate. The title BaII complex represents a novel three‐dimensional coordination polymer constructed by octadentate bridging 1,3‐BDOA2− ligands. 相似文献
15.
Qing‐Yan Liu Sheng‐Liang Zhong Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m395-m397
In the title compound, [In(C8H4O4)(OH)(H2O)]n, the coordination of the InIII ion is composed of six O atoms from three dianionic benzene‐1,2‐dicarboxylate ligands, two hydroxyl groups and one coordinated water molecule in a distorted octahedral geometry. The In3+ ions are linked by the hydroxyl groups to form zigzag In–OH–In chains, which are further bridged by the benzene‐1,2‐dicarboxylic acid ligands to generate a two‐dimensional layered structure featuring three types of rings (six‐, 14‐ and 20‐membered). Hydrogen bonds between the water molecule and a carboxylate O atom, and between the hydroxyl group and a carboxylate O atom, are observed within the layers. In the crystal packing, there are π–π stacking interactions between the benzene rings of adjacent layers, with a centroid‐to‐centroid distance of 3.668 (3) Å and a dihedral angle of 4.8 (2)°. 相似文献
16.
Ahmet Bulut brahim Uar Okan Zafer Yeilel Hasan budak Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m526-m528
The title mononuclear [Cu(sq)(phen)2]·3H2O complex [sq is squarate (C4O4) and phen is 1,10‐phenanthroline (C12H8N2)] has been synthesized and the structure consists of a neutral mononuclear [Cu(sq)(phen)2] unit and three solvate water molecules. The CuII ion has distorted square‐pyramidal coordination geometry, comprised of one carboxylate O atom from a monodentate squarate ligand and four N atoms from two chelating phen ligands. An extensive three‐dimensional network of OW—H⋯O/OW hydrogen bonds, face‐to‐face π–π interactions between the 1,10‐phenanthroline aromatic rings and a weak π–ring interaction are responsible for crystal stabilization. 相似文献
17.
brahim Uar Ahmet Bulut Okan Zafer Yeilel Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m563-m566
The title mononuclear complex, [Ni(C5H2N2O4)(C3H4N2)2(H2O)2] or [Ni(HOr)(im)2(H2O)2] (im is imidazole and H3Or is orotic acid, or 2,6‐dioxo‐1,2,3,6‐tetrahydropyrimidine‐4‐carboxylic acid), has been synthesized and the crystal structure determination is reported. The NiII ion in the complex has a distorted octahedral coordination geometry comprised of one deprotonated pyrimidine N atom and the adjacent carboxylate O atom of the orotate ligand, two tertiary imidazole N atoms and two aqua ligands. An extensive three‐dimensional network of OW—H⋯O and N—H⋯O hydrogen bonds, and π–π and π–ring interactions are responsible for crystal stabilization. 相似文献
18.
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
19.
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
20.
Frank J. Feher Richard K. Baldwin Joseph W. Ziller 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):633-634
The crystal structure of the title complex, (η6‐hexamethylbenzene)bis(trifluoromethanesulfonato‐O)(2,4,6‐trimethylaniline‐N)ruthenium(II), [Ru(CF3O3S)2(C12H18)(C9H13N)], is described. The complex has the classic three‐legged piano‐stool structure with a planar arene 1.667 Å from the metal, two monodentate O‐bound trifluoromethanesulfonate ligands [Ru—O 2.169 (2) and 2.174 (2) Å] and one N‐bound mesidine ligand [Ru—N 2.198 (2) Å]. The Ru—N distance is relatively long and the average Ru—O distance is relatively short when compared with previously characterized RuII complexes. 相似文献