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1.
Alexander V. Pestov Eugenia V. Peresypkina Alexander V. Virovets Nina V. Podberezskaya Yury G. Yatluk Yury A. Skorik 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m510-m512
The CuII ion in the title complex, [Cu(C5H10NO3)2] or [Cu(He‐ala)2] [He‐ala = N‐(2‐hydroxyethyl)‐β‐alaninate], resides at the inversion centre of a square bipyramid comprised of two facially arranged tridentate He‐ala ligands. Each He‐ala ligand binds to a CuII ion by forming one six‐membered β‐alaninate chelate ring in a twist conformation and one five‐membered ethanolamine ring in an envelope conformation, with Cu—N = 2.017 (2) Å, Cu—OCOO = 1.968 (1) Å and Cu—OOH = 2.473 (2) Å. The [Cu(He‐ala)2] molecules are involved in a network of O—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to the (10) plane. The layers are connected into a three‐dimensional structure by van der Waals interactions, so that the molecular centres form pseudo‐face‐centered close packing. 相似文献
2.
Günseli Turgut Metin Zora Mustafa Odabaolu Cem Cüneyt Ersanl Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o321-o323
The crystal structure of the title compound, C2H10N2O2+·2Cl−, is built up from one 2‐hydroxyethylhydrazinium(2+) cation and two Cl− anions. The molecular structure is stabilized by O—H⋯Cl and N—H⋯Cl hydrogen bonds. The crystal structure is stabilized by one N—H⋯O and three N—H⋯Cl interactions, and the three‐dimensional network of hydrogen bonds stabilizes the crystal packing. All five hydrazinium H atoms are involved in hydrogen bonds to Cl− anions. The Cl⋯H contact distances range from 2.122 (15) to 2.809 (14) Å. 相似文献
3.
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
4.
Ivan V. Korendovych Elena V. Rybak‐Akimova 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m82-m84
The crystal structure of the title compound, [MnCl(C28H22N2O2)(C2H6O)], has been determined at 173 (2) K in the non‐centrosymmetric space group P212121. The asymmetric unit contains two molecular units. An intermolecular O—H⋯Cl hydrogen bond is formed between the OH group of an ethanol molecule coordinated to the Mn atom and the coordinated Cl− anion, and so polymeric chains of Mn‐containing fragments are formed [O—H⋯Cl = 3.1281 (16) and 3.1282 (15) Å]. The Mn atoms have a pseudo‐octahedral coordination sphere, with the four donor atoms of the Schiff base forming an equatorial plane [Mn—O distances are 1.8740 (13), 1.8717 (13), 1.8749 (13) and 1.8823 (13) Å, and Mn—N distances are 1.9868 (15), 1.9910 (14), 1.9828 (15) and 1.9979 (14) Å]. The axial positions are occupied by an ethanol molecule [Mn—O distances of 2.3069 (15) and 2.3130 (15) Å] and a Cl− ligand [Mn—Cl distances of 2.5732 (6) and 2.5509 (6) Å]. 相似文献
5.
Osman Dayan Muharrem Diner Bekir etinkaya Namk
zdemir 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m315-m318
In the title compound, [CuCl2(C11H15N3O2)], the CuII ion is five‐coordinated in a strongly distorted trigonal–bipyramidal arrangement, with the two methyloxime N atoms located in the apical positions, and the pyridine N and the Cl atoms located in the basal plane. The two axial Cu—N distances are almost equal (mean 2.098 Å) and are substantially longer than the equatorial Cu—N bond [1.9757 (15) Å]. It is observed that the N(oxime)—M—N(pyridine) bond angle for five‐membered chelate rings of 2,6‐diacetylpyridine dioxime complexes is inversely related to the magnitude of the M—N(pyridine) bond. The structure is stabilized by intra‐ and intermolecular C—H⋯Cl hydrogen bonds which involve the methyl H atoms, except for one of the two acetylmethyl groups. 相似文献
6.
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
7.
Osman Dayan Muharrem Diner Namk
zdemir Bekir etinkaya 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m77-m80
In the title compound, [RuCl2(C2H3N)(C27H31N3)]·0.5CH2Cl2, the RuII ion is six‐coordinated in a distorted octahedral arrangement, with the two Cl atoms located in the apical positions, and the pyridine (py) N atom, the two imino N atoms and the acetonitrile N atom located in the basal plane. The dichloromethane solvent molecule lies on a twofold axis. The two equatorial Ru—Nimino distances are almost equal (mean 2.089 Å) and are substantially longer than the equatorial Ru—Npy bond [1.914 (4) Å]. It is observed that the Nimino—M—Npy bond angle for the five‐membered chelate rings of pyridine‐2,6‐diimine complexes is inversely related to the magnitude of the M—Npy bond. The title structure is stabilized by intra‐ and intermolecular C—H⋯Cl hydrogen bonds. The intermolecular hydrogen bonds form an R66(24) ring and a chain of edge‐fused rings running parallel to the [001] direction. 相似文献
8.
Mao‐Lin Hu Xiao‐Qing Cai Jiu‐Xi Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m403-m405
In the polymeric title compound, [CuCl2(C6H6N4)]n, each CuII ion is five‐coordinated by four basal atoms (two N atoms from a 2,2′‐biimidazole molecule and two Cl− anions) and one axial Cl− anion, in a distorted square‐pyramidal coordination geometry. Cl− anions bridge the {Cu(C6H6N4)Cl} units into one‐dimensional linear chains, which are reinforced by π–π interactions. Adjacent linear chains are linked by N—H⋯Cl hydrogen bonds, resulting in a grid layer. The hydrogen‐bonding pattern can be described in graph‐set notation as C(9)R(9)R(14). This study extends our knowledge of the multifunctional properties of the 2,2′‐biimidazole ligand and of the coordination stereochemistry of copper(II). 相似文献
9.
Muharrem Diner Namk
zdemir Ahmet etin Ahmet Cansz Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o665-o667
The title compound, C14H9N5S, has been synthesized and characterized both spectroscopically and structurally. The triazolo–thiadiazole system, the pyridine ring and the phenyl ring are all planar. The plane of the triazolo–thiadiazole system forms dihedral angles of 1.53 (13) and 7.55 (12)° with the planes of the pyridine and phenyl rings, respectively. In the molecule, there are two intramolecular interactions of types C—H⋯N and C—H⋯S. Intermolecular C—H⋯N interactions involving a phenyl CH group and a triazole N atom lead to the formation of a one‐dimensional chain. In the crystal structure, two types of π–π interactions affect the packing of the molecules. In addition, there are intermolecular non‐bonded S⋯N contacts of 2.870 (2) Å, which may cause steric hindrance. 相似文献
10.
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
11.
Jin‐Yan Zhao Xiang‐Bo Wang Guang‐You Zhang Wan‐Hui Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o534-o536
In the title compound, C25H30NO+·Cl−, the molecules are linked by a combination of intermolecular N—H⋯Cl and O—H⋯Cl hydrogen bonds and intramolecular N—H⋯O hydrogen bonds. The absolute configuration of the new stereogenic centre (the C atom adjacent to the N atom on the phenol side) is determined to have an R configuration. 相似文献
12.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m399-m401
In the title molecular complex, [Cu4Cl6O(2‐EtTz)4], where 2‐EtTz is 2‐ethyltetrazole (C3H6N4), the central O atom is located on the symmetry site and is tetrahedrally coordinated to four Cu atoms, with Cu—O distances of 1.8966 (4) Å. A very slight distortion of Cu4O from a regular tetrahedron is observed [two Cu—O—Cu angles are 108.76 (3)° and four others are 109.828 (13)°]. Each Cu atom is connected to three others via the Cl atoms, forming a slightly distorted Cl octahedron around the O atom, with O⋯Cl distances of 2.9265 (7) Å for Cl atoms lying on the twofold axis and 2.9441 (13) Å for those in general positions. The Cu atom has a distorted trigonal–bipyramidal environment, with three Cl atoms in the equatorial plane, and with the N atom of the 2‐ethyltetrazole ligand and the μ4‐O atom in axial positions. The Cu atom is displaced out of the equatorial plane by ca 0.91 Å towards the coordinated N atom of the 2‐ethyltetrazole ligand. 相似文献
13.
Hui‐Fen Qian Wei Huang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m349-m351
The title compound, [Cu(ClO4)(C5H6N2)2(C12H12N2)]ClO4, was prepared by in situ partial ligand substitution between 3‐aminopyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine molecule, two monodentate pyridine‐coordinated 3‐aminopyridine molecules and one apical O atom from the perchlorate counter‐ion. Intermolecular N—H⋯O and C—H⋯O hydrogen‐bonding interactions form a hydrogen‐bond‐sustained network. 相似文献
14.
Gnana Sutha Siluvai Babu Varghese Narasimha N. Murthy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o380-o382
In the title salt, 1,3‐bis{[2‐(2‐pyridinio)ethyl][2‐(2‐pyridyl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4−·2H2O, the cation contains two ethylpyridyl and two ethylpyridinium pendant pairs anchored to the two N atoms of 1,3‐phenylenediamine. The pyridyl and pyridinium N atoms are flanked by a molecule of water through strong hydrogen‐bonding interactions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water molecules have weak hydrogen‐bonding interactions with the perchlorate anions as well. One of the perchlorate anions is severely disordered. 相似文献
15.
The structure of the title compound, fac‐[ReBr(C14H12N2O)(CO)3]·CH4O, consists of neutral mononuclear molecular units of distorted octahedral geometry, with the three carbonyl donors in a facial orientation. The remaining coordination sites are occupied by the Br atom, the pyridine N atom and the ketone O‐atom donor of the ligand. The molecules pack in stacks of antiparallel tapes, with a network of classical (O—H⋯Br) and non‐classical (C—H⋯O) hydrogen bonds between the methanol solvent molecule and the complex molecule. 相似文献
16.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
17.
Grayna Wjcik Izabella Mossakowska 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o123-o125
The crystal structure of 1‐chloro‐2‐nitrobenzene, C6H4ClNO2, is made up of molecules which are linked by N—O⋯Cl halogen bonds. These molecular chains are involved in aromatic π–π stacking; the intermolecular O⋯Cl distance is 3.09 Å. Such short halogen bonds are not common. A rigid‐body analysis including the non‐rigidly attached rigid group provides the mean‐square amplitudes of the molecular translations and librations, and of the internal torsional vibrations of the nitro group. The results reveal the driving role of the torsional vibrations of the nitro group in the phase transition to the liquid phase. 相似文献
18.
Muharrem Diner Namk
zdemir M. Emin Günay Bekir etinkaya Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m373-m375
The title complex, [RhBr(C8H12)(C19H22N2O2)], has a distorted square‐planar geometry. There are two molecules, A and B, in the asymmetric unit. The Rh—C bond distance between the N‐heterocyclic ligand and the metal atom is 2.039 (2) Å in molecule A and 2.042 (2) Å in molecule B. The angle between the carbene heterocycle and the coordination plane is 87.56 (12)° in molecule A and 87.03 (11)° in molecule B. It is shown that the average Rh—C(COD) (COD is cyclooctadiene) distance is linearly dependent on the Rh—C(imidazolidine) distance in this type of compound. This can be ascribed to the steric hindrance produced by the packing. The crystal structure contains intramolecular C—H⋯O and intermolecular C—H⋯Br interactions. 相似文献
19.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m406-m408
The title complex, [Cu(C11H14BrN2O)(NCS)]n, is an interesting thiocyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent molecules in the asymmetric unit. Each CuII atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethylamino)ethyliminomethyl]phenolato}copper(II) units are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. There are weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure. 相似文献
20.
Richeng Xuan Weixiao Hu Zhongyu Yang Rirong Xuan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m112-m114
In the crystals of the title compound, [CuCl2(C6H6ClN)2], the Cu atom lies on an inversion centre and is four‐coordinated by two pyridine N atoms and two Cl atoms in trans positions. The coordination geometry is square planar, with Cu—N and Cu—Cl distances of 1.986 (2) and 2.2536 (11) Å, respectively. The two pyridine rings are parallel, but twist from the CuN2Cl2 coordination plane by about 95° in the complex molecule. There are three kinds of intermolecular C—H⃛Cl hydrogen bonds in the crystals. Two of these types generate two‐dimensional molecular networks, viewed in the direction of the a axis, and the other connects adjacent molecular networks. 相似文献