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1.
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
2.
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
3.
Jesús García Díaz Jozef Koíek Marek Fronc Anton Gatial Ingrid Svoboda Vratislav Langer 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m180-m182
Crystals of the title complex, [Cu(CN3O2)2(C3H4N2)4], the structure of which has been determined by single‐crystal X‐ray diffraction at 304 K, appear to be pseudo‐merohedrally twinned. Transformation to a monoclinic C‐centred cell was necessary in order to derive the twin law. Twin refinement in a triclinic unit cell significantly reduced the R value. The asymmetric unit of the triclinic cell consists of one molecule in a general position and two half entities with the Cu atom on a centre of inversion. The coordination of the Cu atom is quasi‐octahedral, with four imidazole N‐atom donors in the equatorial plane and two cyano N atoms from the N‐nitrocyanamidate anion in axial positions. Owing to symmetry in the centrosymmetric molecules, the trans imidazole ligands are parallel, while those in the non‐centrosymmetric molecule make angles of 22.8 (2) and 77.9 (2)°. 相似文献
4.
Chengbing Ma Cheng Fan Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m553-m555
In the title compound [systematic name: aqua(1,10‐phenanthroline‐κ2N,N′)(pyridine‐2,6‐dicarboxylato‐κ3O2,N,O6)manganese(II) monohydrate, [Mn(C7H3NO4)(C12H8N2)(H2O)]·H2O, the manganese(II) centre is surrounded by one bidentate phenanthroline ligand [Mn—N = 2.248 (3) and 2.278 (3) Å], one tridentate dipicolinate ligand [Mn—N = 2.179 (3) Å, and Mn—O = 2.237 (2) and 2.266 (2) Å] and one water molecule [Mn—O = 2.117 (3) Å], and it exhibits a strongly distorted octahedral geometry, with trans angles ranging from 144.12 (9) to 158.88 (11)°. Extensive intermolecular hydrogen‐bonding interactions involving coordinated and uncoordinated water molecules and the carboxyl O atoms of the dipicolinate ligand, as well as a stacking interaction involving the phenanthroline rings, are observed in the crystal structure. 相似文献
5.
Dmitrii S. Yufit Judith A. K. Howard 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o141-o143
The crystal structures of (1R,1′S)‐2′,2′‐dichloro‐N‐(1‐phenylethyl)cyclopropane‐1′‐carboxamide, C12H13Cl2NO, (I), and (1R,1′R)‐2′,2′‐difluoro‐N‐(1‐phenylethyl)cyclopropane‐1′‐carboxamide, C12H13F2NO, (II), have been determined. Both crystals contain two independent molecules with different conformations of the phenylethyl groups. In the crystals of both compounds, the molecules are linked together by N—H⃛O hydrogen bonds, thus forming chains in the a direction. 相似文献
6.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
7.
Jaime Vzquez Sylvain Berns Ruth Melndrez Roberto Portillo Ren Gutirrez 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m424-m427
The title compounds, trans‐dichlorobis[(1R,2R,3R,5S)‐(−)‐2,6,6‐trimethylbicyclo[3.1.1]heptan‐3‐amine]palladium(II), [PdCl2(C10H19N)2], and trans‐dichlorobis[(1S,2S,3S,5R)‐(+)‐2,6,6‐trimethylbicyclo[3.1.1]heptan‐3‐amine]palladium(II) hemihydrate, [PdCl2(C10H19N)2]·0.5H2O, present different arrangements of the amine ligands coordinated to PdII, viz. antiperiplanar in the former case and (−)anticlinal in the latter. The hemihydrate is an inclusion compound, with a Pd coordination complex and disordered water molecules residing on crystallographic twofold axes. The crystal structure for the hemihydrate includes a short Pd⋯Pd separation of 3.4133 (13) Å. 相似文献
8.
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
9.
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
10.
Xiaoming Liu Colin A. Kilner Mark Thornton‐Pett Malcolm A. Halcrow 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m10-m11
The title compound, [Cu(C9H7N2O)2]·2CH3OH, contains a crystallographically centrosymmetric near‐regular square planar CuII centre with trans‐disposed chelating ligands. The complex molecules associate into a one‐dimensional polymeric chain via hydrogen bonding to the solvent molecules. 相似文献
11.
Manfredo Hrner Vanessa S. Carratu Jairo Bordinhao Angela Silva Elke Niquet 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m140-m142
In the title compound, [Cd(C12H8F2N3)2(C5H5N)2], the Cd atom lies on a crystallographic twofold axis in space group Iba2. The coordination geometry about the CdII ion corresponds to a rhombically distorted octahedron, with two deprotonated 1,3‐bis(2‐fluorophenyl)triazenide ions, viz. FC6H4NNNC6H4F−, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) molecules complete the coordination sphere in positions cis with respect to one another. The triazenide ligand is not planar (r.m.s. deviation = 0.204 Å), the dihedral angle between the phenyl rings of the terminal 2‐fluorophenyl substituents being 24.6 (1)°. The triazenide and pyridine Cd—N distances are 2.3757 (18)/2.3800 (19) and 2.3461 (19) Å, respectively. Intermolecular C—H⋯F interactions generate sheets of molecules in the (010) plane. 相似文献
12.
Oga vajlenov Jn Van
o Jaromír Marek 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m275-m277
Crystals of the title compound, [Cu2(C10H9NO3)2(H2O)2]·2CH4N2O, consist of two (N‐salicylidene‐β‐alaninato‐κ3O,N,O′)copper(II) coordination units bridged by two water moieties to form a dimer residing on a crystallographic inversion center, along with two uncoordinated urea molecules. The CuII atom has square‐pyramidal coordination, with three donor atoms of the tridentate Schiff base and an O atom of the bridging aqua ligand in the basal plane. The axial position is occupied by the second bridging water ligand at a distance of 2.5941 (18) Å. Hydrogen bonds between molecules of urea and the neighboring dimer units lead to the formation of a two‐dimensional grid of molecules parallel to [101]. The superposition of the normals of the pyramidal base planes in the direction [100] indicates possible π–π interactions between the neighboring units. 相似文献
13.
Ahmet Karadag Ahmet Bulut Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m402-m404
The crystal structure of the title compound, [Ni(NCS)2(C4H12N2O)2], has two crystallographically independent half‐molecules in the asymmetric unit, with each Ni atom residing on a centre of symmetry. The two molecules exhibit similar coordination geometry but display differences with regard to other structural features. Each NiII centre is octahedrally coordinated by two mutually trans chelating hydroxyethylethylenediamine ligands and two mutually trans isothiocyanate ions. The two independent molecules form chains through different types of non‐covalent interactions. In the case of one of the molecules, only NCS and free OH groups participate in hydrogen bonding, while in the chain based on the second molecule, the NCS, NH, NH2 and free OH groups are involved in intermolecular hydrogen bonding. The two chains interact with one another through hydrogen bonding, forming planar sheets. The third packing direction is mediated only by van der Waals interactions. 相似文献
14.
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
15.
(2,9‐Dimethyl‐1,10‐phenanthroline‐κ2N,N′)(pyridine‐2,6‐dicarboxylato‐κ3O2,N,O6)copper(II) trihydrate
Ibrahim Uar Ahmet Bulut Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m479-m481
The copper(II) centre in the mononuclear title complex, [Cu(C7H3NO4)(C14H12N2)]·3H2O, is surrounded by one bidentate 2,9‐dimethyl‐1,10‐phenanthroline (dmphen) ligand and one tridentate pyridine‐2,6‐dicarboxylate ligand, and exhibits a distorted square‐pyramidal geometry. The crystal packing involves both hydrogen‐bonding and π–π interactions. The solvent water molecules link monomers to one another through hydrogen‐bonding interactions, forming ladder‐like chains in the bc plane. Face‐to‐face and slipped π–π interactions also occur between dmphen rings of neighboring molecules and are responsible for interchain packing. 相似文献
16.
A. van der Lee M. Barboiu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m156-m158
The structure of the title supramolecular complex, [Cu(C7H5O2)2(C5H6N2)2]·0.75C6H6, has been determined. The Cu2+ ion lies on an inversion centre and is coordinated by four O atoms of two opposing benzoate molecules and two pyridine N atoms of two opposing aminopyridine molecules. The partially occupied benzene site lies across a twofold rotation axis. The crystal structure is dominated by two‐dimensional networks containing two different hydrogen‐bonded rings [(16) and (8)]. 相似文献
17.
Anwar Usman Ibrahim Abdul Razak Suchada Chantrapromma Hoong‐Kun Fun A. Sreekanth S. Sivakumar M. R. Prathapachandra Kurup 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m461-m463
One half of the molecule of the title complex, [Mn(C14H13N4S)2], is related to the other half by a twofold axis passing through the Mn atom. This high‐spin Mn atom is six‐coordinated, in an octahedral geometry, by the azomethine N, the pyridyl N and the thiolate S atom of two planar 1‐(pyridin‐2‐yl)ethanone N(4)‐phenylthiosemicarbazone ligands. In the crystal, the molecules are interconnected by N—H?S and C—H?N interactions, forming a three‐dimensional network. 相似文献
18.
Valiollah Mirkhani Reza Kia Sybolt Harkema 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m343-m344
The 1:1 adduct of N,N′‐bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron) and linear dichlorocuprate(I) anions (with Cu on an inversion centre). These cations and anions are packed in columns along b. The packing of the cation and anion columns involves a significant C—H⋯Cl interaction and four short intermolecular C—H⋯π contacts, two of which are between cation columns. 相似文献
19.
Tadeusz Lis Petra Stachov Duan Valigura Jan Moncol 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m375-m377
The title compound {systematic name: tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)bis[(3,7‐dihydro‐1,3,7‐trimethyl‐1H‐purine‐2,6‐dione‐κO2)copper(II)]}, [Cu2(C7H3N2O6)4(C8H10N4O2)2], consists of paddle‐wheel dimeric tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)dicopper(II) units with O‐coordinated caffeine molecules in both apical positions. The entire dimeric molecule lies on a tetragonal inversion axis, and thus one nitrobenzoate anion with one Cu atom in a special position belong to the independent part of the molecule. The caffeine ligand bonded to the Cu atom is disordered on a local twofold non‐crystallographic axis coincident with the axis. A π–π stacking interaction is observed between the caffeine rings and adjacent symmetry‐related benzene rings of the 3,5‐dinitrobenzoate anions. 相似文献
20.
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