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1.
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
2.
Süheyla
zbey Nesrin Gkhan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o737-o739
A new type of benzothiazolinone derivative with potential pharmacological activity, viz. 6‐(3,4‐difluorobenzoyl)‐3‐[2‐(4‐pyridyl)ethyl]‐1,3‐benzothiazol‐2(3H)‐one, C21H14F2N2O2S, has been prepared and studied by NMR, IR and single‐crystal X‐ray diffraction techniques. The molecule is not planar, the pyridine and difluorobenzene moieties being located above and below the benzothiazole ring system. The carbonyl O atoms are involved in an intramolecular hydrogen‐bond‐type interaction. 相似文献
3.
Viktor Vrbel Jozef Lehotay Drahomír Oktavec tefan Marchalín 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1073-1074
The crystal structure of the title compound, C20H23N3O7, consists of relatively isolated molecules. The substituted 1,4‐dihydropyridine ring adopts a flattened boat conformation. Both ester groups, at positions 3 and 5, have cis,cis geometry. The phenyl ring is nearly planar and is approximately perpendicular to the 1,4‐dihydropyridine ring (dihedral angle 87.70°). 相似文献
4.
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
5.
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
6.
Evgeny Goreshnik Dieter Schollmeyer Marian Mys'kiv 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m127-m129
Crystals of the title π‐complex, [Cu4Cl6(C8H11N2)2]n, were obtained by means of alternating‐current electrochemical synthesis. The structure consists of infinite copper–chlorine chains to which 1‐allyl‐3‐aminopyridinium moieties are attached via a η2 Cu—(C=C) interaction. The two independent Cu atoms have distinct coordination environments. One is three‐coordinate, surrounded by two chloro ligands and the olefinic bond, whereas the second copper center is surrounded by a tetrahedral arrangement of four Cl atoms. The lower basicity of 3‐aminopyridine as compared with 2‐ and 4‐aminopyridine lowers the capacity of the organic ligand for donating to N—H⋯Cl hydrogen bonds and results in the formation of a large inorganic fragment. 相似文献
7.
Hong‐Tao Zhang Ting Shao Hua‐Qin Wang Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m259-m261
The asymmetric unit of the title compound, {[Ni(C12H6N2O4)(H2O)3]·H2O}n, is composed of a lattice water molecule and a nickel(II) ion that is coordinated by three water molecules and the two N atoms of a 2,2′‐bipyridine‐3,3′‐dicarboxylate ligand. The twist of the 2,2′‐bipyridine‐3,3′‐dicarboxylate unit and the coordination of one carboxylate group to a symmetry‐related NiII atom generate a helical chain that runs along the b axis. Intrahelical hydrogen bonds participate in controlling the orientation of the helices, and both right‐handed and left‐handed helices are connected by interhelical hydrogen bonds into two‐dimensional sheets. 相似文献
8.
Ying‐Quan Zou Xia Li Yan Li Huai‐Ming Hu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1048-1050
The title compound, tetrakis(μ‐2,3‐dimethoxybenzoato)‐κ4O:O′;κ6O,O′:O′‐bis[(2,2′‐bipyridine‐N,N′)(2,3‐dimethoxybenzoato‐O,O′)lanthanum(III)], [La2(2,3‐DMOBA)6(2,2′‐bpy)2], where 2,3‐DMOBA is 2,3‐dimethoxybenzoate (C9H9O4) and 2,2′‐bpy is 2,2′‐bipyridine (C10H8N2), is a dimer with a centre of inversion between the La atoms bridged by four carboxylate ligands. The central La atom is ennea‐coordinated and has a distorted monocapped square‐antiprism geometry. 相似文献
9.
Craig M. Forsyth Douglas R. MacFarlane Pamela M. Dean 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m169-m170
The title compound, also known as sodium nicotinate, Na+·C6H4NO2−, consists of two unique Na atoms coordinated to two unique pyridine‐3‐carboxylate ligands through the N atoms and carboxylate groups. One Na atom and one pyridine‐3‐carboxylate ligand lie on a twofold axis. Extensive Na coordination results in a three‐dimensional array comprising infinite NaO2CR chains linked by intrachain Na—N bonds. 相似文献
10.
Brian W. Skelton A. Fiona Waters Claire R. Whitaker Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m435-m438
Both of the title compounds, catena‐poly[[[tetraaquamagnesium(I)]‐μ‐4,4′‐bipyridine‐κ2N:N′] diiodide bis(4,4′‐bipyridine) solvate], {[Mg(C10H8N2)(H2O)4]I2·2C10H8N2}n, (I), and catena‐poly[[[μ‐4,4′‐bipyridine‐bis[diiodobis(propan‐1‐ol)strontium(I)]]‐di‐μ‐4,4′‐bipyridine‐κ4N:N′] bis(4,4′‐bipyridine) solvate], {[Sr2I4(C10H8N2)3(C3H8O)4]·2C10H8N2}n, (II), are one‐dimensional polymers which are single‐ and double‐stranded, respectively, the metal atoms being linked by the 4,4′‐bipyridine moieties. The Mg complex, (I), is [cis‐{(H2O)4Mg(N‐4,4′‐bipyridine‐N′)(2/2)}](∞|∞)I2·4,4′‐bipyridine and Mg has a six‐coordinate quasi‐octahedral coordination environment. The Sr complex, (II), is isomorphous with its previously defined Ba counterpart [Kepert, Waters & White (1996). Aust. J. Chem. 49 , 117–135], being [(propan‐1‐ol)2I2Sr(N‐4,4′‐bipyridine‐N′)(3/2)](∞|∞)·4,4′‐bipyridine, with the I atoms trans‐axial in a seven‐coordinate pentagonal–bipyramidal Sr environment. 相似文献
11.
Anthony Linden Cihat afak Emrah Kismetl 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o436-o438
The title compound, C23H29N3O4, has potential calcium modulatory properties. The conformation of the 1,4‐dihydropyridine ring is unusual in that it is planar, instead of the usual shallow boat. The 3‐nitrophenyl substituent is in the synperiplanar orientation with respect to the dihydropyridine ring plane. The oxocyclohexene ring has a distorted envelope conformation, with the out‐of‐plane atom being disordered on opposite sides of the ring plane. The molecules are linked into chains by intermolecular hydrogen bonds. 相似文献
12.
Guo‐Qing Bian Takayoshi Kuroda‐Sowa Sayuri Sugimoto Masahiko Maekawa Megumu Munakata 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m144-m146
The title one‐dimensional chain polymer complex, [Mn(C6H4NO3)Cl(C6H5N)2]n, was isolated from the reaction of MnCl2 with 6‐oxo‐1,6‐dihydropyridine‐2‐carboxylic acid (HpicOH) in pyridine. The asymmetric unit contains one [Mn(HPicO)Cl(py)2] moiety (py is pyridine), with the (HpicO)− ligand acting in a tridentate manner via the two carboxylate O atoms and the pyridone O atom. The operation of inversion centres generates eight‐ and 14‐membered rings and, in conjunction with an a‐axis translation, leads to an infinite chain extending along [100]. The Mn⋯Mn separations in this chain are 5.1069 (6) and 7.1869 (6) Å. The MnII atom has a distorted octahedral coordination, with trans‐axial pyridine ligands and with three O atoms and the Cl atom in the equatorial plane. The conformation of the 14‐membered ring is stabilized by pairs of inversion‐related N—H⋯O hydrogen bonds. 相似文献
13.
En Tang Zhao‐Ji Li Yu‐Mei Dai Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m61-m63
The title compound, [CoII(C10H8O6)(C10H8N2)(H2O)2]n, was obtained by the hydrothermal reaction of CoSO4 with benzene‐1,4‐dioxydiacetate [systematic name: p‐phenylenebis(oxyacetate)] and 4,4′‐bipyridine (4,4′‐bpy). The Co atom lies at an inversion center and the benzene‐1,4‐dioxydiacetate and 4,4′‐bipyridine moieties lie about other inversion centers. The benzene‐1,4‐dioxydiacetate ligands bridge the octahedral CoII coordination centers, forming a one‐dimensional zigzag chain. The chains are further bridged by 4,4′‐bpy ligands, forming a novel two‐dimensional supramolecular architecture. Hydrogen‐bonding interactions between the coordinated water molecules and the carboxylate O atoms lead to the formation of a three‐dimensional network structure. 相似文献
14.
Anthony Linden Cihat afak Frat Aydn 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o711-o713
The title compound, C20H21ClN2O5, has potential calcium modulatory properties. The 1,4‐dihydropyridine ring has the usual shallow boat conformation. The 2‐chloro‐5‐nitrophenyl ring is oriented such that the chloro substituent is in a synperiplanar orientation with respect to the 1,4‐dihydropyridine ring plane, while the nitro substituent sits over the 1,4‐dihydropyridine ring. The cyclohexenone ring has a conformation that is approximately half‐way between that of an envelope and that of a half‐chair. The molecules are linked into chains by intermolecular N—H⋯O hydrogen bonds. 相似文献
15.
Shu‐Qin Liu Hisashi Konaka Takayoshi Kuroda‐Sowa Gui‐Ling Ning Megumu Munakata 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m194-m196
In the title complex, [Ag2(C7H4NO4)2(C16H16S2)], each AgI atom is trigonally coordinated by one S atom of a 2,11‐dithia[3.3]paracyclophane (dtpcp) ligand, and by one N and one O atom of a 6‐carboxypyridine‐2‐carboxylate ligand. Dtpcp acts as a bidentate ligand, bridging two inversion‐related AgI atoms to give a dinuclear silver(I) compound. The dinuclear moieties are interconnected via O—H·O hydrogen bonds to form a two‐dimensional zigzag sheet. Two such sheets are interwoven viaπ–π interactions between pyridine rings, affording an interwoven bilayer network. 相似文献
16.
Eleonora Freire Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m299-m301
The structure of the title compound, [Ni(ths)(bbip)(dmf)]·H2O [ths is thiosulfate, S2O3; bbip is 2,6‐bis(1H‐benzimidazol‐2‐yl)pyridine, C21H13N5; and dmf is dimethylformamide, C3H7NO], is monomeric, with the nickel ion octahedrally surrounded by an N,N′,N′′‐tridentate bbip molecule, an S,O‐bidentate ths molecule and an O‐monodentate dmf molecule. The H atoms of the hydration water molecule and the amino groups of bbip are involved in hydrogen bonding and determine a spatial organization of broad layers parallel to (001), which are connected by weak interactions. 相似文献
17.
Andrei S. Batsanov 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e269-e270
The molecule of 3,5‐difluoro‐4‐nitropyridine N‐oxide, C5H2F2N2O3, is twisted around the C—NO2 bond by 38.5 (1)°, while the 3,5‐diamino analogue, 3,5‐diamino‐4‐nitropyridine N‐oxide monohydrate, C5H6N4O3·H2O, adopts a planar conformation stabilized by intramolecular hydrogen bonds, with a significant redistribution of π electrons. 相似文献
18.
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
19.
Zhan Shi Ying Hou Jia Hua Guanghua Li Shouhua Feng 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m337-m338
The solvothermal reaction of zinc(II) acetate with 1,3,5‐benzenetricarboxylic acid and 4,4′‐bipyridine in 1‐butanol and acetic acid solution gives the title complex, [Zn3(C9H3O6)2(C10H8N2)(H2O)2]n. There are two different coordination environments for the Zn atom, namely ZnNO2(H2O) and ZnO4; in the latter case, the Zn atom lies on a twofold symmetry axis. Carboxylate‐bridged Zn3(O2C)6 clusters are connected through 1,3,5‐benzenetricarboxylate and 4,4′‐bipyridine ligands (which lie about inversion centers), yielding a three‐dimensional framework. 相似文献
20.
Vukadin M. Leovac Violeta S. Jevtovi Goran A. Bogdanovi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):m514-m516
The title complex, [Cu(NO3)(C10H14N4O2S)(H2O)](NO3), is the first metal complex with a Schiff base derived from isothiosemicarbazide and pyridoxal (pyridoxal is 3‐hydroxy‐5‐hydroxymethyl‐2‐methylpyridine‐4‐carboxaldehyde). The CuII environment is a square pyramid, the equatorial plane of which is formed by the tridentate ONN‐coordinated isothiosemicarbazone and one water molecule, while the nitrate ligand is in the apical position. The existence of numerous strong intermolecular hydrogen bonds, and weak C—H?O and C—H?π interactions, leads to a three‐dimensional supramolecular structure. 相似文献