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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.
Hong‐Ping Xiao Sai‐Zhen Yang Xin‐Hua Li 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m112-m114
The title compound, [Co2(C12H11N2)2(C12H10N2)(H2O)8][Co(H2O)6](SO4)4·8H2O, consists of bis(4‐pyridyl)ethenedicobalt(II) cations, hexaaquacobalt cations, sulfate anions and water solvent molecules that are linked by hydrogen bonds into a network structure. In the hexaaquacobalt cation, the six water molecules are coordinated in an octahedral geometry to the Co atom, which lies on an inversion centre. The other cation is a 1,2‐bis(4‐pyridyl)ethene‐bridged centrosymmetric dimer, consisting of protonated 1,2‐bis(4‐pyridyl)ethene cations, a bridging 1,2‐bis(4‐pyridyl)ethene ligand and tetraaquacobalt cations. Each Co atom is six‐coordinated by four water molecules and two N atoms from a protonated 1,2‐bis(4‐pyridyl)ethene cation and the bridging 1,2‐bis(4‐pyridyl)ethene ligand, and the geometry around each Co atom is octahedral. 相似文献
3.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m228-m230
The title complexes, trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)cobalt(II)–water–methanol (1/2/2), [Co(C10H6NO2)2(H2O)2]·2CH4O·2H2O, and trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)nickel(II)–water–methanol (1/2/2), [Ni(C10H6NO2)2(H2O)2]·2CH4O·2H2O, are isomorphous and contain CoII and NiII ions at centers of inversion. Both complexes have the same distorted octahedral coordination geometry, and each metal ion is coordinated by two quinoline N atoms, two carboxylate O atoms and two water O atoms. The quinoline‐2‐carboxylate ligands lie in trans positions with respect to one another, forming the equatorial plane, with the two water ligands occupying the axial positions. The complex molecules are linked together by hydrogen bonding involving a series of ring patterns which include the uncoordinated water and methanol molecules. 相似文献
4.
Wenqing Lin Frank Seela Henning Eickmeier Hans Reuter 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o566-o568
In the tricyclic nucleoside 7‐(β‐d ‐ribofuranosyl)‐7H‐imidazo[1,2‐c]pyrazolo[4,3‐e][1,2,3]triazine, C11H12N6O4, the conformation of the N‐glycosyl bond is intermediate between anti and high anti [χ = −103.5 (3)°]. The ribofuranose moiety adopts a 3T2 sugar pucker (S‐type sugar) and the conformation at the exocyclic C—C bond is ap (gauche–trans). Molecules of the title compound form a three‐dimensional network via three medium–strong intermolecular hydrogen bonds (one O—H⋯N and two O—H⋯O bonds). 相似文献
5.
Frank Seela Helmut Rosemeyer Alexander Melenewski Eva‐Maria Heithoff Henning Eickmeier Hans Reuter 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o142-o144
In the monohydrate of 2‐amino‐8‐(2‐deoxy‐α‐d ‐erythro‐pentofuranosyl)‐8H‐imidazo[1,2‐a][1,3,5]triazin‐4‐one, C10H13N5O4·H2O, denoted (I) or αZd, the conformation of the N‐glycosylic bond is in the high‐anti range [χ = 87.5 (3)°]. The 2′‐deoxyribofuranose moiety adopts a C2′‐endo,C3′‐exo(2′T3′) sugar puckering (S‐type sugar) and the conformation at the C4′—C5′ bond is ?sc (trans). 相似文献
6.
Krzysztof Ejsmont Andrzej A. Domaski Janusz B. Kyzio Jacek Zaleski 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o368-o370
The crystal structure of the α isomer of trans‐4‐bromoazoxybenzene [systematic name: trans‐1‐(bromophenyl)‐2‐phenyldiazene 2‐oxide], C12H9BrN2O, has been determined by X‐ray diffraction. The geometries of the two molecules in the asymmetric unit are slightly different and are within ∼0.02 Å for bond lengths, ∼2° for angles and ∼3° for torsion angles. The azoxy bridges in both molecules have the typical geometry observed for trans‐azoxybenzenes. The crystal network contains two types of planar molecules arranged in columns. The torsion angles along the Ar—N bonds are only 7 (2)°, on either side of the azoxy group. 相似文献
7.
Yan‐Jun Zhu Jin‐Xiang Chen Wen‐Hua Zhang Yong Zhang Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m491-m493
In the title compound, {[Sm(4‐pya)3(H2O)2]·2H2O}n [4‐pya is trans‐3‐(4‐pyridyl)acrylate, C8H6NO2], each SmIII atom is ten‐coordinated and has a bicapped square‐antiprismatic coordination geometry. There is a crystallographic center of symmetry at the mid‐point of the Sm⋯Sm line within each [Sm(4‐pya)3(H2O)2]2 dimer. Each dimer is interconnected by two pairs of bridging 4‐pya ligands to form a one‐dimensional chain. Neighboring chains are connected via hydrogen bonds to form a three‐dimensional network. 相似文献
8.
Jonathan D. Woodward Rnal Backov Khalil A. Abboud Daniel R. Talham 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1027-1029
The one‐dimensional chain catena‐poly[[aqua(2,2′:6′,2′′‐terpyridyl‐κ3N)nickel(II)]‐μ‐cyano‐κ2N:C‐[bis(cyano‐κC)nickelate(II)]‐μ‐cyano‐κ2C:N], [Ni(terpy)(H2O)]‐trans‐[Ni‐μ‐(CN)2‐(CN)2]n or [Ni2(CN)4(C15H11N3)(H2O)], consists of infinite linear chains along the crystallographic [10] direction. The chains are composed of two distinct types of nickel ions, paramagnetic octahedral [Ni(terpy)(H2O)]2+ cations (with twofold crystallographic symmetry) and diamagnetic planar [Ni(CN)4]2? anions (with the Ni atom on an inversion center). The [Ni(CN)4]2? units act as bidentate ligands bridging through two trans cyano groups thus giving rise to a new example of a trans–trans chain among planar tetracyanonickelate complexes. The coordination geometry of the planar nickel unit is typical of slightly distorted octahedral nickel(II) complexes, but for the [Ni(CN)4]2? units, the geometry deviates from a planar configuration due to steric interactions with the terpyridine ligands. 相似文献
9.
Jennifer A. Saltmarsh Bob A. Howell Philip J. Squattrito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e335-e337
The title complexes, [Pt(C4H7NO)2I2], (I), and [Pt(C4H9NO)2I2], (II), possess similar square‐planar coordination geometries with modest distortions from ideality. For (I), the cis‐L—Pt—L angles are in the range 87.0 (4)–94.2 (3)°, while the trans angles are 174.4 (3) and 176.4 (3)°. For (II), cis‐L—Pt—L are 86.1 (8)–94.2 (6)° and trans‐L—Pt—L are 174.4 (6) and 177.4 (5)°. One 3,6‐dihydro‐2H‐1,2‐oxazine ligand in (I) is rotated so that the N—O bond is out of the square plane by approximately 70°, while the N—C bond is only ca 20° out of the plane. The other oxazine ligand is rotated so that the N—C bond is about 80° out of the plane, while the N—O bond is out of the plane by approximately 24°. In (II), the 3,4,5,6‐tetrahydro‐2H‐1,2‐oxazine ligands are also positioned with one having the N—O bond further out of the plane and the other having the N—C bond positioned in that fashion. Both ligands, however, are rotated approximately 90° compared with their positions in (I). In both complexes, this results in an unsymmetrical distortion of the I—Pt—N bond angles in which one is expanded and the other contracted. These features are compared to those of reported cis‐diaminediiodoplatinum(II) complexes. 相似文献
10.
Gideon Steyl Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m324-m326
The molecule of the title complex, [Rh(5‐NO2trop)(C18H15P)(CO)] (5‐NO2trop is 2‐hydroxy‐5‐nitrocyclohepta‐2,4,6‐trienone, C7H4NO4), has a distorted square‐planar geometry. Strong intramolecular and weak intermolecular hydrogen bonding is observed, with H⋯O distances of the order of 2.25 and 2.55 Å, respectively. The Rh—CO, Rh—O (trans to CO), Rh—O (trans to P) and Rh—P bond distances are 1.775 (7), 2.072 (4), 2.068 (4) and 2.2397 (17) Å, respectively, the O—Rh—O angle is 77.09 (16)° and the bidentate O—C—C—O torsion angle is 1.5 (7)°. 相似文献
11.
Ming‐Liang Tong Shao‐Liang Zheng Xiao‐Ming Chen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):960-962
The title compound, poly[[diaquadibromocadmium‐μ‐(1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane‐N1:N5)‐aquacadmium‐di‐μ‐bromo‐aquacadmium‐μ‐(1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane‐N1:N5)‐di‐μ‐bromo] dihydrate], [Cd3Br6(C6H12N4)2(H2O)4]·2H2O, is made up of two‐dimensional neutral rectangular coordination layers. Each rectangular subunit is enclosed by a pair of Cd3(μ2‐Br)6(H2O)3 fragments and a pair of (μ2‐hmt)Cd(H2O)2Br2(μ2‐hmt) fragments as sides (hmt is hexamethylenetetramine). The unique CdII atom in the Cd2Br2 ring in the Cd3(μ2‐Br)6(H2O)3 fragment is in a slightly distorted octahedral CdNOBr4 geometry, surrounded by one hmt ligand [2.433 (5) Å], one aqua ligand [2.273 (4) Å] and four Br atoms [2.6409 (11)–3.0270 (14) Å]. The CdII atom in the (μ2‐hmt)Cd(H2O)2Br2(μ2‐hmt) fragment lies on an inversion center and is in a highly distorted octahedral CdN2O2Br2 geometry, surrounded by two trans‐related N atoms of two hmt ligands [2.479 (5) Å], two trans‐related aqua ligands [2.294 (4) Å] and two trans‐related Br atoms [2.6755 (12) Å]. Adjacent two‐dimensional coordination sheets are connected into a three‐dimensional network by hydrogen bonds involving lattice water molecules, and the aqua, bromo and hmt ligands belonging to different layers. 相似文献
12.
B. de Castro C. Freire M. Teresa Duarte M. F. Minas da Piedade I. C. Santos 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):370-372
In the title complex, trans‐{2,2′‐[cyclohexane‐1,2‐diylbis(nitrilomethylidyne)]diphenolato‐κ4O,N,N′,O′}nickel(II)–chloroform (1/1), [Ni(C20H20N2O2)]·CHCl3, the Ni atom has a square‐planar geometry, slightly tetrahedrally distorted. The Ni—N and Ni—O bonding distances are within the expected ranges for Ni–Schiff base derivatives. The diimine bridge has a gauche conformation with the cyclohexyl ring almost coplanar with the NiN2O2 plane. The complex molecules pack in dimers with an Ni?Ni distance of 3.59 (1) Å and form a three‐dimensional structure displaying a herring‐bone configuration. Channels are occupied by solvent molecules, which are involved in C—H?O hydrogen bonds with the ligand O atoms. 相似文献
13.
Chengbing Ma Feng Chen Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m516-m518
In the title compound, [Mn(C5H3N2O4)2(H2O)2], the MnII atom lies on an inversion centre, is trans‐coordinated by two N,O‐bidentate 1H‐imidazole‐4,5‐dicarboxylate monoanionic ligands [Mn—O = 2.202 (3) Å and Mn—N = 2.201 (4) Å] and two water molecules [Mn—O = 2.197 (4) Å], and exhibits a distorted octahedral geometry, with adjacent cis angles of 76.45 (13), 86.09 (13) and 89.20 (13)°. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by extensive hydrogen‐bonding interactions involving the coordinated water molecules, the carboxy O atoms and the protonated imidazole N atoms of the imidazole‐4,5‐dicarboxylate ligands. 相似文献
14.
Ahmet Karadag Hümeyra Paaoglu Gkhan Kata Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m581-m583
The title compound, catena‐poly[[μ‐cyano‐1:2κ2C:N‐dicyano‐1κ2C‐trans‐bis[N‐(2‐hydroxyethyl)ethane‐1,2‐diamine‐2κ2N,N′]cadmium(II)nickel(II)]‐μ‐cyano‐1:2′κ2C:N], [CdNi(CN)4(C4H12N2O)2], consists of alternating square‐planar Ni(CN)4 fragments, formally dianionic, and Cd(hydet‐en)2 moieties [hydet‐en is N‐(2‐hydroxyethyl)ethylenediamine], with the two bridging cyanide ligands in a mutually trans disposition at the Ni atom and cis at the Cd atom. The resulting one‐dimensional zigzag chain structure has the Ni atom on an inversion center, while the distorted octahedron centered on the Cd atom lies on a twofold axis. The polymer chains are connected into undulating sheets by weak interchain N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds, which are also present between successive sheets. 相似文献
15.
Yoshitaro Miyashita Tetuya Ohashi Akiomi Imai Nagina Amir Kiyoshi Fujisawa Ken‐ichi Okamoto 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m476-m478
The complex molecule in the title compound, [Re(C9H6NS)Cl2O(C18H15OP)]·C3H6O, has distorted octahedral geometry. The Re=O bond occupies the position trans to the triphenylphosphine oxide O atom. The Re—Cl bond trans to the thiolate S atom is longer than that trans to the quinoline N atom, implying a stronger trans influence of the S atom. Intra‐ and intermolecular π–π interactions are also observed between the π rings in the complex. 相似文献
16.
John Nicolson Low Justo Cobo Braulio Insuasty Manuel Nogueras Angela Salcedo Adolfo Snchez 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o125-o128
The title compounds, 2‐(4‐bromophenyl)‐1,2‐dihydropyrimido[1,2‐a]benzimidazol‐4‐(3H)‐one, C16H12BrN3O, (IVa), and 4‐(4‐methylphenyl)‐3,4‐dihydropyrimido[1,2‐a]benzimidazol‐2‐(1H)‐one, C17H15N3O, (Vb), both form R(8) centrosymmetric dimers via N—H?N hydrogen bonds. The N?N distance is 2.943 (3) Å for (IVa) and 2.8481 (16) Å for (Vb), with the corresponding N—H?N angles being 129 and 167°, respectively. However, in other respects, the supramolecular structures of the two compounds differ. Both compounds contain different C—H?π interactions, in which the C—H?π(centroid) distances are 2.59 and 2.47 Å for (IVa) and (Vb), respectively (the latter being a short distance), with C—H?π(centroid) angles of 158 and 159°, respectively. The supramolecular structures also differ, with a short Br?O distance of 3.117 (2) Å in bromo derivative (IVa), and a C—H?O interaction with a C?O distance of 3.2561 (19) Å and a C—H?O angle of 127° in tolyl system (Vb). The dihydropyrimido part of (Vb) is disordered, with a ratio of the major and minor components of 0.9:0.1. The disorder consists of two non‐interchangeable envelope conformers, each with an equatorial tolyl group and an axial methine H atom. 相似文献
17.
trans‐Diaquabis(5‐carboxy‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4)cobalt(II) 4,4′‐bipyridine solvate
Rong Cao Yu‐Ling Wang Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m609-m611
In the title compound, [Co(C5H3N2O4)2(H2O)2]·C10H8N2, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐dicarboxyimidazole ligands, and by two O atoms from two coordinated water molecules, in a distorted octahedral geometry. The 4,4′‐bipyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C5H3N2O4)2(H2O)2] molecule. Both molecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bipyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å. 相似文献
18.
Manfredo Hrner Julieta Saldanha de Oliveira Jairo Bordinhao Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m586-m587
In the centrosymmetric title complex, [Ni(C7H7N4O3)2(C5H5N)2], the coordination geometry about the Ni2+ ion is octahedral, with two deprotonated 1‐methyl‐3‐(p‐nitrophenyl)triazenide 1‐oxide ions, viz. [O2NC6H4NNN(O)CH3]?, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) molecules complete the coordination sphere in positions trans to each other. The triazenide 1‐oxide ligand is almost planar, the largest interplanar angle of 8.80 (12)° being between the phenyl ring of the p‐nitrophenyl group and the plane defined by the N3O moiety. The Ni—Ntriazenide, Ni—O and Ni—Npy distances are 2.0794 (16), 2.0427 (13) and 2.1652 (18) Å, respectively. 相似文献
19.
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
20.
Ming‐Liang Tong Xiao‐Ming Chen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1075-1076
In the title complex, {[Ag(C12H10N2)]NO3}n, the Ag atom, which is in a linear AgN2 geometry, is surrounded by two trans‐related N atoms of two bpe ligands [Ag—N = 2.173 (3) and 2.176 (3) Å; bpe is trans‐1,2‐bis(2‐pyridyl)ethylene]. The bpe ligands bridge neighbouring Ag atoms to form zigzag polymeric chains in the lattice. These adjacent one‐dimensional zigzag chains are extended into a three‐dimensional supramolecular array by strong interchain π?π interactions between the pyridyl rings of adjacent chains. 相似文献