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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.
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
3.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m383-m385
The two title complexes, [ZnCl2(C11H15N3O3)], (I), and [ZnCl2(C11H15N3O3)]·0.5H2O, (II), are mononuclear zinc(II) compounds. In both structures, the ZnII atom is four‐coordinated in a tetrahedral configuration by one imine N atom and one phenolate O atom of a Schiff base, and by two Cl atoms. The structure of each of the two zinc(II) complex molecules of (II) is similar to that of (I). In (I), the molecules are linked through intermolecular hydrogen bonds, forming a three‐dimensional framework. In (II), the solvent water molecules are linked to the zinc(II) moieties through intermolecular O—H⋯O and O—H⋯Cl hydrogen bonds. The molecules in (II) are further linked via other intermolecular hydrogen bonds, forming a three‐dimensional framework. 相似文献
4.
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
5.
Ri‐Cheng Xuan Min Xu Dong‐Ping Cheng 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m587-m589
In the title compound, [CuCl2(C9H12N2O)], the CuII atom is coordinated by two Cl− anions and two N atoms of one O‐ethyl 3‐methylpyridine‐2‐carboximidic acid molecule in a slightly distorted square‐planar geometry, with Cu—N distances of 2.0483 (17) and 1.9404 (18) Å, and Cu—Cl distances of 2.2805 (10) and 2.2275 (14) Å. In addition, each CuII atom is connected by one Cl− anion and the CuII atom from a neighbouring molecule, with Cu⋯Cl and Cu⋯Cu distances of 2.9098 (13) and 3.4022 (12) Å, respectively, and, therefore, a centrosymmetric dimer is formed. Adjacent molecular dimers are connected by π–π stacking interactions between pyridine rings to form a zigzag molecular chain. The molecular chains are also enforced by N—H⋯Cl and C—H⋯Cl interactions. 相似文献
6.
Mao‐Lin Hu Hong‐Ping Xiao Ji‐Xin Yuan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m112-m113
In the title compound, poly[[aqua(1,10‐phenanthroline)cobalt(II)]‐μ4‐dihydrogen benzene‐1,2,4,5‐tetracarboxylato], [Co(C10H4O8)(C12H8N2)(H2O)]n, each cobalt(II) cation has an octahedral geometry completed by one aqua O atom, three carboxy O atoms belonging to three H2TCB2− anions (H2TCB2− is dihydrogen benzene‐1,2,4,5‐tetracarboxylate) and two N atoms from a 1,10‐phenanthroline molecule. In the asymmetric unit, there are two half H2TCB2− anions lying about independent inversion centres. The bridging H2TCB2− anions have two coordination modes, viz.μ2‐H2TCB2− and μ4‐H2TCB2−, resulting in a two‐dimensional coordination polymer. Furthermore, a three‐dimensional network is formed by Ocarboxy⋯Ocarboxy hydrogen‐bond interactions, with H⋯A distances in the range 1.69–1.82 Å, and Ocarboxy⋯Owater interactions, with H⋯A distances in the range 1.91–1.94 Å. 相似文献
7.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
8.
Nazan Ocak Ískeleli amil Ik Kemal Sancak Selami amaz Yasemin Ünver Mustafa Er 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o363-o365
The title compounds, C12H20N6O2, (I), and C5H9N3O2, (II), display the characteristic features of 1,2,4‐triazole derivatives. Compound (I) lies about an inversion centre which is at the mid‐point of the central C—C bond. Compound (II) also contains a planar 1,2,4‐triazole ring but differs from (I) in that it has a hydroxy group attached to the ring. Molecules of (I) are held together in the crystal structure by intermolecular N—H⋯O contacts and by weak π–π stacking interactions between the 1,2,4‐triazole moieties. Compound (II) contains intermolecular O—H⋯O and N—H⋯O hydrogen bonds. 相似文献
9.
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
10.
Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m469-m471
In the title compound, [Ni(C15H8O7S)(H2O)4]·C3H7NO·H2O, the NiII cation is chelated by a 7‐hydroxy‐5‐oxidoflavone‐6‐sulfonate ligand through one oxide and one carbonyl O atom, and the sixfold coordination is completed by four aqua ligands. Individual molecules are linked into hydrogen‐bonded dimers by way of five pairs of O—H⋯O hydrogen bonds. These dimers, in turn, determine a three‐dimensional supramolecular arrangement through a variety of interdimeric interactions, such as O—H⋯O, C—H⋯O and π–π stacking. 相似文献
11.
Banglin Chen Frank R. Fronczek Andrew W. Maverick 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m147-m149
The β‐diketone 3‐(4‐cyanophenyl)pentane‐2,4‐dione crystallizes as the enol tautomer 4‐(2‐hydroxy‐4‐oxopent‐2‐en‐3‐yl)benzonitrile, C12H11NO2, (I), with an intramolecular O—H⋯O hydrogen bond [O⋯O = 2.456 (2) Å]. Reaction of (I) with copper acetate monohydrate in the presence of triethylamine leads to the formation of the copper(II) complexbis[3‐(4‐cyanophenyl)pentane‐2,4‐dionato‐κ2O,O]copper(II), [Cu(C12H10NO2)2], (II). In the structure of (II), the Cu atom is coordinated by four β‐diketonate O atoms in a slightly distorted square‐planar geometry, with Cu—O distances in the range 1.8946 (11)–1.9092 (11) Å. The nitrile moieties in (II) make it a candidate for reaction with other metal ions to produce supramolecular structures. 相似文献
12.
Nobuyuki Matsushita 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m33-m36
The title compound, {[PtIIPtIVI2(C2H8N2)4](HPO4)(H2PO4)I·3H2O}n, has a chain structure composed of square‐planar [Pt(en)2]2+ and elongated octahedral trans‐[PtI2(en)2]2+ cations (en is ethylenediamine) stacked alternately along the c axis and bridged by the I atoms; a three‐dimensionally valence‐ordered system exists with respect to the Pt sites. The title compound also has a unique cyclic tetramer structure composed of two hydrogenphosphate and two dihydrogenphosphate ions connected by strong hydrogen bonds [O⋯O = 2.522 (10), 2.567 (10) and 2.569 (11) Å]. The Pt and I atoms form a zigzag ⋯I—PtIV—I⋯PtII⋯ chain, with PtIV—I bond distances of 2.6997 (7) and 2.6921 (7) Å, interatomic PtII⋯I distances of 3.3239 (8) and 3.2902 (7) Å, and PtIV—I⋯PtII angles of 154.52 (3) and 163.64 (3)°. The structural parameters indicating the mixed‐valence state of platinum, expressed by δ = (PtIV—I)/(PtII—I), are 0.812 and 0.818 for the two independent I atoms. 相似文献
13.
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
14.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
15.
Deepak Chopra T. P. Mohan B. Vishalakshi T. N. Guru Row 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o540-o543
The crystal structures of the title compounds, viz. C24H14F2N2O2, (I), and C25H17FN2O2, (II), respectively, have been determined in order to unravel the role of an ordered F atom in generating stable supramolecular assemblies. On changing the substitution from fluorine to a methyl group, C—H⋯F interactions are replaced by C—H⋯π interactions, revealing the importance of such weak interactions when present alongside N—H⋯O and C—H⋯O hydrogen bonds. The dihedral angle between the planes of the 4‐fluorophenyl ring and the pyridine ring is 26.8 (1)° in (I), while that between the planes of the 4‐methylphenyl and pyridine rings is 29.5 (1)° in (II). 相似文献
16.
Arzu
zek idem Albayrak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o177-o180
The title compounds, (E)‐2‐[(2‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (I), (E)‐2‐[(3‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (II), and (E)‐2‐[(4‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (III), adopt the phenol–imine tautomeric form. In all three structures, there are strong intramolecular O—H⋯N hydrogen bonds. Compound (I) has strong intermolecular hydrogen bonds, while compound (III) has weak intermolecular hydrogen bonds. In addition to these intermolecular interactions, C—H⋯π interactions in (I) and (III), and π–π interactions in (I), play roles in the crystal packing. The dihedral angles between the aromatic rings are 15.34 (12), 6.1 (3) and 39.2 (14)° for (I), (II) and (III), respectively. 相似文献
17.
The title complex, [BaZn(C3H2O4)2(H2O)4]n, is polymeric, due to the connectivity brought about by each malonate dianion bonding to two different ZnII cations and two different BaII cations. The BaII cations, on crystallographic twofold axes, have slightly distorted square‐antiprismic coordination, with Ba—O distances ranging from 2.795 (2) to 2.848 (2) Å. The ZnII cations, which lie on crystallographic centres of symmetry, have distorted octahedral coordination, with Zn—O bonds in the range 2.0364 (19)–2.3248 (18) Å. The water molecules participate in extensive O—H⋯O hydrogen bonding. The structure comprises alternating layers along [100], with one type containing ZnII cations and malonate dianions, while the other is primarily composed of BaII cations and water molecules. 相似文献
18.
Chenguang Li Paul D. Robinson Daniel J. Dyer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o596-o598
The two components of the title heterodimer, C17H21NO2·C8H5NO2, are linked end‐to‐end via O—H⋯O(=C) and C—H⋯O(=C) hydrogen‐bond interactions. Additional lateral C—H⋯O interactions link the dimers in a side‐by‐side fashion to produce wide infinite molecular ribbons. Adjacent ribbons are interconnected viaπ–π stacking and C—H⋯π(arene) interactions. This structure represents the first evidence of robust hydrogen‐bond formation between the moieties of pyridin‐4(1H)‐one and benzoic acid. 相似文献
19.
Nada Kouti Hulita Aleksandar Danilovski Darko Fili Marina Marinkovi Ernest Metrovi Miljenko Dumi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o648-o651
The structures of the three title isomers, namely 4‐(2‐methylanilino)pyridine‐3‐sulfonamide, (I), 4‐(3‐methylanilino)pyridine‐3‐sulfonamide, (II), and 4‐(4‐methylanilino)pyridine‐3‐sulfonamide, (III), all C12H13N3O2S, differ in their hydrogen‐bonding arrangements. In all three molecules, the conformation of the 4‐aminopyridine‐3‐sulfonamide moiety is conserved by an intramolecular N—H⋯O hydrogen bond and a C—H⋯O interaction. In the supramolecular structures of all three isomers, similar C(6) chains are formed via intermolecular N—H⋯N hydrogen bonds. N—H⋯O hydrogen bonds lead to C(4) chains in (I), and to R22(8) centrosymmetric dimers in (II) and (III). In each isomer, the overall effect of all hydrogen bonds is to form layer structures. 相似文献
20.
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