共查询到20条相似文献,搜索用时 15 毫秒
1.
Manfredo Hrner Lorenzo do C. Visentin Marisa Dahmer Jairo Bordinhao 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m286-m287
In the title complex, [Pd(C12H8FN4O2)2(C5H5N)2] or trans‐[Pd(FC6H4N=N—NC6H4NO2)(C5H5N)2], the Pd atom lies on a centre of inversion in space group P. The coordination geometry about the Pd2+ ion is square planar, with two deprotonated 3‐(2‐fluorophenyl)‐1‐(4‐nitrophenyl)triazenide ions, FC6H4N=N—NC6H4NO2?, acting as monodentate ligands (two‐electron donors), while two neutral pyridine molecules complete the metal coordination sphere. The whole triazenide ligand is not planar, with the largest interplanar angle being 16.8 (5)° between the phenyl ring of the 2‐fluorophenyl group and the plane defined by the N=N—N moiety. The Pd—N(triazenide) and Pd—N(pyridine) distances are 2.021 (3) and 2.039 (3) Å, respectively. 相似文献
2.
《Magnetic resonance in chemistry : MRC》2002,40(7):467-470
In the course of saponification experiments with bis(2‐cyanoethyl) 2,6‐dimethyl‐4‐(2‐nitrophenyl)‐1,4‐dihydro‐3,5‐pyridinedicarboxylate ( 1 ), an analogue of the calcium channel blocker nifedipine, three unexpected degradation products were isolated. The compounds were identified as 3‐(2‐acetamido‐1‐carboxy‐1‐propenyl)‐1‐hydroxy‐2‐indolecarboxylic acid ( 3 ), 9‐hydroxy‐1,3‐dimethyl‐β‐carboline‐4‐carboxylic acid ( 4 ) and 6‐hydroxy‐2,4‐dimethyl‐5‐oxo‐5,6‐dihydrobenzo[c][2,7]naphthyridine‐1‐carboxylic acid ( 6 ). The structures of these compounds were deduced from one‐ and two‐dimensional 1H, 13C and natural abundance 15N NMR experiments (1H,1H‐COSY, gs‐HSQC, gs‐HMBC, 15N gs‐HMBC), and corroborated by comparison of their NMR data with the respective data for structurally similar compounds. Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
3.
Vitalie Stavila Ion Bulimestru Aurelian Gulea Adam C. Colson Kenton H. Whitmire 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(3):m65-m68
The title complexes, hexaaquacobalt(II) bis(μ‐pyridine‐2,6‐dicarboxylato)bis[(pyridine‐2,6‐dicarboxylato)bismuthate(III)] dihydrate, [Co(H2O)6][Bi2(C7H4NO4)4]·2H2O, (I), and hexaaquanickel(II) bis(μ‐pyridine‐2,6‐dicarboxylato)bis[(pyridine‐2,6‐dicarboxylato)bismuthate(III)] dihydrate, [Ni(H2O)6][Bi2(C7H4NO4)4]·2H2O, (II), are isomorphous and crystallize in the triclinic space group P. The transition metal ions are located on the inversion centre and adopt slightly distorted MO6 (M = Co or Ni) octahedral geometries. Two [Bi(pydc)2]− units (pydc is pyridine‐2,6‐dicarboxylate) are linked via bridging carboxylate groups into centrosymmetric [Bi2(pydc)4]2− dianions. The crystal packing reveals that the [M(H2O)6]2+ cations, [Bi2(pydc)4]2− anions and solvent water molecules form multiple hydrogen bonds to generate a supramolecular three‐dimensional network. The formation of secondary Bi...O bonds between adjacent [Bi2(pydc)4]2− dimers provides an additional supramolecular synthon that directs and facilitates the crystal packing of both (I) and (II). 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.
Virginia Lozano Peter G. Jones 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o653-o655
The title compounds, C7H8Cl2N+·Cl− and C7H8Br2N+·Br−, are isomorphous. In the crystal packing, layers parallel to the ac plane are formed by a classical N+—H⋯X− hydrogen bond (X = halogen) and two X⋯X contacts. A third X⋯X contact links the layers, and a fourth, which is however very long, completes a ladder‐like motif of halogen atoms. Hydrogen bonds of the form C—H⋯X play at best a subordinate role in the packing. 相似文献
6.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o641-o643
Two chemical isomers of 3‐nitrobenzotrifluoride, namely 1‐(4‐chlorophenylsulfanyl)‐2‐nitro‐4‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (I), and 1‐(4‐chlorophenylsulfanyl)‐4‐nitro‐2‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P21/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation. 相似文献
7.
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
8.
Manfredo Hrner Almir Luis Brancher Angela Silva Jairo Bordinhao Ccilia M. Mssmer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o303-o304
The crystal structure of the title compound, C14H12N4O3, shows that the stereochemistry about the N=N double bond of the N=N—N(H) moiety is trans. The whole molecule is almost planar (r.m.s. deviation = 0.0654 Å), the interplanar angle between the phenyl rings being 0.7 (1)° and the largest interplanar angle being that between the phenyl ring and the nitro group of the 4‐nitrophenyl substituent [11.5 (2)°]. Intermolecular N—H⋯O interactions between molecules related by translation give rise to chains along the [110] and [10] directions, and these chains are held together by N⋯O π–π interactions. An unequal distribution of the double‐bond character among the N atoms suggests a delocalization of π electrons over the diazoamine group and the adjacent aryl substituents. 相似文献
9.
Vladimir N. Nesterov Tatiana V. Timofeeva Sergey S. Sarkisov Alexander Leyderman Charles Y.‐C. Lee Mikhail Yu. Antipin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o605-o608
The structures of 3,5‐bis[4‐(diethylamino)benzylidene]‐1‐methyl‐4‐piperidone, C28H37N3O, (I), and 3,5‐bis[4‐(diethylamino)cinnamylidene]‐1‐methyl‐4‐piperidone, C32H41N3O, (II), have been characterized. Because of conjugation between donor and acceptor parts, the central heterocycles (including the carbonyl group) in (I) and (II) are flattened and exhibit a `sofa' conformation, with a deviation of the N atom from the planar fragment. The dihedral angles between the planar part of the heterocycle and the two almost flat fragments that include a phenyl ring and bridging atoms are 23.2 (1) and 11.2 (1)° in (I), and 11.8 (1) and 8.7 (2)° in (II). One‐ and two‐photon absorption of light and the fluorescence of (I) and (II) have also been characterized. 相似文献
10.
Palanichamy Manikandan K. R. Justin Thomas Periakaruppan T. Manoharan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):308-309
The title compound, [Cu(NCS)2(C17H21N5)], displays a distorted square‐pyramidal coordination geometry, where the basal plane is defined by the tridentate ligand and by one of the thiocyanate ions. The apical position is occupied by the other thiocyanate ion. 相似文献
11.
Zuoxiang Wang Yurong Zhang Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun Fengsheng Li Hongchang Song 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):161-162
In the title complex of [Ni(C3H4N2)6](C8H7O3)2, the Ni atom is in an octahedral environment formed by the tertiary N atom of the imidazole moieties. The methoxybenzoate moieties act as a bridge connecting two hexakis(imidazole)nickel(II) molecules through N—H?O hydrogen bonds. 相似文献
12.
Akhilesh Kumar Gupta Jinkwon Kim 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m262-m264
The title dinuclear CuII complex, [Cu2(C7H8NO2)2(C7H9NO2)2](CH3COO)2, has been synthesized by the reaction of Cu(CH3COO)2·H2O with pdmH2 (pdmH2 is pyridine‐2,6‐diyldimethanol) in the presence of tetrabutylammonium hydroxide. The title complex contains a centrosymmetric Cu2O2 core and each CuII atom has distorted octahedral geometry. Molecular [Cu2(pdmH)2(pdmH2)]2+ cations are connected by hydrogen bonds involving the CH3COO− anions, forming one‐dimensional chains along the a axis. 相似文献
13.
Juana E. Prez‐Vargas Francisco J. Martínez‐Martínez Itzia I. Padilla‐Martínez Herbert Hpfl Efrn V. García‐Bez 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o517-o519
The title compound, C16H19NO5, crystallizes as a centrosymmetric dimer through strong O—H⋯O hydrogen‐bonding interactions between the hydroxyphenyl and morpholinocarbonyl groups. The morpholinocarbonyl group is almost perpendicular to the propenoate moiety. Electron delocalization in the N—C(=O) fragment leads to the formation of hydrogen‐bonded S(5) ring motifs through C—H⋯O interactions. 相似文献
14.
S. Shanmuga Sundara Raj Hoong‐Kun Fun Pu‐Su Zhao Fang‐Fang Jian Lu‐De Lu Xu‐Jie Yang Xin Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):742-743
The crystal structure of the title compound, [Zn‐(C7H5O2)2(C5H6N2)2], is built of monomeric [Zn(2‐apy)2(OBz)2] molecules (apy is aminopyridine and OBz is benzoate). The Zn atom lies on a twofold symmetry axis and adopts a slightly distorted tetrahedral coordination. The Zn?O distances to the non‐coordinated O atoms are long at 2.872 (3) Å. Each non‐ligating carbonyl O atom of the benzoate anion accepts one intramolecular and one intermolecular hydrogen bond from the amino group. The molecules form a chain along the c axis through intermolecular N—H?O hydrogen bonds between the amino and carboxyl groups. 相似文献
15.
Fei Gao Bian‐Hong Meng Yi‐Bin Wei 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m360-m362
The crystal structure of the title compound, [Mg(H2O)6]0.5[Mg2(C16H14ClN2O9)(H2O)4]·10H2O, shows that this binuclear complex consists of two Mg centres in distorted octahedral geometry, joined by an oxo bridge which is a derivative of the deprotoned hydroxy group of the phenolate in the ligand molecule. In the anion, the coordination sphere of each MgII ion is completed by two carboxylates, a tertiary N atom and two water molecules. The inner coordination spheres for the MgII ions are very similar, both in ligand sets and in geometry. Each unit of the binuclear complex has one negative charge neutralized by a neighbouring hydrated cation, [Mg(H2O)6]2+, in which the Mg atom lies on an inversion centre. In each cell, there are 34 water molecules and most of them participate in the formation of hydrogen bonds, which contribute greatly to the stability of the whole structure. 相似文献
16.
Serkan Soylu Hasan Kocaokutgen Mahmut Gür Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o498-o500
The crystal structure of the title compound, C14H14N2O, determined at 293 K, shows that the molecule is approximately planar in the solid state and that the aromatic rings have a trans configuration with respect to the azo double bond, as found for other diazene derivatives. The packing can be described as a polymeric arrangement of molecules linked through O—H⋯N and C—H⋯O hydrogen bonds and close contacts. These intermolecular interactions result in the formation of infinite chains parallel to the b axis. 相似文献
17.
Malcolm A. Halcrow Colin A. Kilner Mark Thornton‐Pett 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1425-1426
The title compound, [Zn(C29H29N5)2](ClO4)2·2CH3NO2, contains a ZnII ion showing only small deviations from local D2d symmetry. The lower rhombicity exhibited by this complex compared with that of its CuII congener suggests that the highly rhombic stereochemistry exhibited by the latter is largely imposed by the stereoelectronic preferences of the CuII ion. 相似文献
18.
T. V. Sundar V. Parthasarathi K. Sarkunam M. Nallu B. Walfort H. Lang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o464-o466
The title compounds, C15H16ClN2O+·Br−·1.5H2O and C15H16BrN2O+·Br−·1.5H2O, are isomorphous. The benzene ring is oriented nearly normal to the pyridine ring in both compounds. The molecular packing is mainly influenced by intermolecular O—H⋯O and O—H⋯Br interactions, as well as weak intramolecular C—H⋯O interactions. The H2OBr− units form an extended water–bromide chain, with a bridging water molecule on a twofold axis. 相似文献
19.
Luis Alvarez Thon Carlos Bustos Fernando Diaz‐Marín Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(1):101-104
The title compound, C17H10F5N5O2, is described and compared with its 4‐nitrophenyl isomer [Bustos, Sánchez, Schott, Alvarez‐Thon & Fuentealba (2007). Acta Cryst. E 63 , o1138–o1139]. The title molecule presents its nitro group split into two rotationally disordered components, which in conjunction with the rotation of the `unclamped' rings constitute the main molecular differences. Packing is directed by a head‐to‐tail type `I' C—F...F—C interaction, generating double‐chain strips running along [100]. These substructures are interlinked by a variety of weak F...F, O...F, F...π and O...π interactions. 相似文献
20.
Lilianna Chciska Magdalena Maecka Katarzyna Aranowska Justyn Ochocki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o4-o6
Molecules of the title compound, C8H12NO3P, exist as zwitterions. The positive charge formally located on the N atom is spread over the pyridyl ring. A partial delocalization of negative charge within the O—P—O system is observed. The conformational features and hydrogen‐bonding network of the title compound are compared with the structure of (2‐pyridylmethyl)phosphonic acid. 相似文献