共查询到20条相似文献,搜索用时 31 毫秒
1.
Bartosz Zarychta Zdzisaw Daszkiewicz Janusz B. Kyzio Jacek Zaleski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o564-o566
Two isomeric products (C8H10N2O4S) of the rearrangement of 3‐methanesulfonyl‐N‐methyl‐N‐nitroaniline have been investigated, viz. 3‐methanesulfonyl‐N‐methyl‐2‐nitroaniline, which was the main product of the rearrangement, and 5‐methanesulfonyl‐N‐methyl‐2‐nitroaniline. In both molecules, the aromatic rings are appreciably deformed towards ortho‐quinonoidal geometry by electronic and steric interactions. The crystal structure is stabilized, in both cases, by weak C—H⋯O hydrogen bonds. 相似文献
2.
Antonija Hergold‐Brundi Gordana Pavlovi Ana Dunja Mance Kreimir Jakop
i 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e520-e521
The title compound, C15H14N2O3, is the first example of a structurally determined tertiary amine with both N‐5‐nitrofurfuryl and N‐prop‐2‐ynyl moieties. The molecule is not planar, i.e. the furan ring is inclined at an angle of 84.35 (4)° to the phenyl ring. The crystal structure is dominated by van der Waals forces. The terminal alkynyl group as the strongest C—H hydrogen‐bond donor is not involved in hydrogen‐bond formation. 相似文献
3.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
4.
Arthur Camerman Andrew Hempel Donald Mastropaolo Norman Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o417-o419
In the crystal structure of 2‐acetamido‐N‐benzyl‐2‐(methoxyamino)acetamide (3L), C12H17N3O3, the 2‐acetylaminoacetamide moiety has a linearly extended conformation, with an interplanar angle between the two amide groups of 157.3 (1)°. In 2‐acetamido‐N‐benzyl‐2‐[methoxy(methyl)amino]acetamide (3N), C13H19N3O3, the planes of the two amide groups intersect at an angle of 126.4 (4)°, resulting in a chain that is slightly more bent. The replacement of the methoxyamino H atom of 3L with a methyl group to form 3N and concomitant loss of hydrogen bonding results in some positional/thermal disorder in the methoxy(methyl)amino group. In both structures, in addition to classical N—H⋯O hydrogen bonds, there are also weak non‐standard C—H⋯O hydrogen bonds. The hydrogen bonds and packing interactions result in planar hydrophilic and hydrophobic areas perpendicular to the c axis in 3L and parallel to the ab plane in the N‐methyl derivative. Stereochemical comparisons with phenytoin have identified two O atoms and a phenyl group as molecular features likely to be responsible for the anticonvulsant activities of these compounds. 相似文献
5.
Hiroyuki Hosomi Shigeru Ohba Hiromu Aoyama 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e152-e153
The crystal structures of the two title thiobenzamides, C19H21NS, (I), and C20H23NOS, (II), were determined to investigate the relationship between the photoreactivity in solid state and the structure. Their geometry was confirmed to be the E isomer in each case. 相似文献
6.
Alok K. Mukherjee Subhadra Guha M. Wahab Khan Nitya G. Kundu Madeleine Helliwell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):85-87
Two isoindolin‐1‐one derivatives, (Z)‐3‐benzylidene‐N‐phenylisoindolin‐1‐one, C21H15NO, (II), and (Z)‐3‐benzylidene‐N‐(4‐methoxyphenyl)isoindolin‐1‐one, C22H17NO2, (III), were synthesized by the palladium‐catalysed heteroannulation. The molecules of both compounds have a Z configuration. The interplanar angles between the five‐ and six‐membered rings of the isoindolinone moiety in (II) and (III) are 1.66 (11) and 2.26 (7)°, respectively. The phenyl rings at the N‐position in (II) and (III) are twisted out of the C4N ring plane by 62.77 (11) and 67.10 (7)°, respectively. The substitutions at the N and C‐3 positions of the isoindolinone system have little influence on the molecular dimensions of the resulting compounds. 相似文献
7.
Shusheng Zhang Zhongwei Wang Ming Li Kui Jiao Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):566-568
In both the title structures, O‐ethyl N‐(2,3,4,6‐tetra‐O‐acetyl‐β‐d ‐glucopyranosyl)thiocarbamate, C17H25NO10S, and O‐methyl N‐(2,3,4,6‐tetra‐O‐acetyl‐β‐d ‐glucopyranosyl)thiocarbamate, C16H23NO10S, the hexopyranosyl ring adopts the 4C1 conformation. All the ring substituents are in equatorial positions. The acetoxymethyl group is in a gauche–gauche conformation. The S atom is in a synperiplanar conformation, while the C—N—C—O linkage is antiperiplanar. N—H?O intermolecular hydrogen bonds link the molecules into infinite chains and these are connected by C—H?O interactions. 相似文献
8.
Jacek Zaleski Grzegorz Spaleniak Janusz B. Kyzio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o627-o629
The geometries of the thiazole ring and the nitramino groups in N‐(3H‐thiazol‐2‐ylidene)nitramine, C3H3N3O2S, (I), and N‐methyl‐N‐(thiazol‐2‐yl)nitramine, C4H5N3O2S, (II), are very similar. The nitramine group in (II) is planar and twisted along the C—N bond with respect to the thiazole ring. In both structures, the asymmetric unit includes two practically equal molecules. In (I), the molecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the molecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions. 相似文献
9.
Ayhan Elmali C. Tugrul Zeyrek YalcÛn Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1302-1304
The title compounds, {4,4′‐dibromo‐2,2′‐[1,3‐propanediylbis(nitrilomethylidyne‐N)]diphenolato‐O,O′}nickel(II), [Ni(C17H14Br2N2O2)], and {4,4′‐dichloro‐2,2′‐[1,3‐propanediylbis(nitrilomethylidyne‐N)]diphenolato‐O,O′}copper(II), [Cu(C17H14Cl2N2O2)], lie on crystallographic twofold axes. In both structures, the metal coordination sphere is a tetrahedrally distorted square plane formed by the four‐coordinate N2O2 donor set of the Schiff base imine–phenol ligands. In the Ni compound, the Ni—O and Ni—N distances are 1.908 (3) and 1.959 (4) Å, respectively, while in the Cu compound, the Cu—O and Cu—N distances are 1.907 (2) and 1.960 (2) Å, respectively. The two Schiff base moieties, which themselves are nearly planar, are inclined at an angle of 29.26 (7)° for the Ni compound and 29.26 (5)° for the Cu compound. 相似文献
10.
Olivier Renaudet Pascal Dumy Christian Philouze Marie‐Thrse Averbuch‐Pouchot 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):649-650
The crystal structure of the title compound, C18H24N2O11, a GalNAc mimic containing an α‐glycosyloxysuccinimide linkage, has been determined. The pyranose ring geometry is an almost perfect 4C1 chair. The torsion angle of the exocyclic hydroxymethyl group is shown to be gauche–trans with respect to O1 and C4, respectively. 相似文献
11.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun V. Raghukumar V. T. Ramakrishnan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):723-725
In the title compounds, C17H15N3 and C20H22N4, the methyl derivative crystallizes with two molecules in the asymmetric unit, while the N,N‐diethylamino derivative crystallizes with one molecule per asymmetric unit. The biphenyl twist angle for both molecular structures is approximately 45°. The molecular packing is stabilized by N—H?N hydrogen bonds. 相似文献
12.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m295-m297
The two title complexes, catena‐poly[[{2,2′‐[1,3‐propanediylbis(nitrilomethylidyne)]diphenolato}cobalt(III)]‐μ‐azido], [Co(C17H16N2O2)(N3)]n, (I), and catena‐poly[[{2,2′‐[1,3‐propanediylbis(nitrilomethylidyne)]diphenolato}cobalt(III)]‐μ‐thiocyanato], [Co(C17H16N2O2)(NCS)]n, (II), are isomorphous polynuclear cobalt(III) compounds. In both structures, the CoIII atom is six‐coordinated in an octahedral configuration by two N atoms and two O atoms of one Schiff base, and two terminal N or S atoms from two bridging ligands. The [N,N′‐bis(salicylidene)propane‐1,3‐diaminato]cobalt(III) moieties are linked by the bridging ligands, viz. azide in (I) and thiocyanate in (II), giving zigzag polymeric chains with backbones of the type [–Co—N—N—N—Co]n in (I) or [–Co—N—C—S—Co]n in (II) running along the c axis. 相似文献
13.
Jesús Palenzuela Conde Mark R. J. Elsegood Karl S. Ryder 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o166-o168
The solid‐state structure of the title compound, C19H15NS2, is unusual among substituted thiophene/pyrrole derivatives in that the molecular packing is dominated by π–π interactions between the benzyl substituents. This may be due to the large torsion angles observed between adjacent heterocycles. Torsion angles between adjacent rings in polypyrrole and polythiophene conducting polymers are related to conjugation length and the conductivity properties of the polymer materials. The title compound crystallizes in space group P21/c with two molecules in the asymmetric unit, both of which exhibit disorder in one of their thiophene rings. 相似文献
14.
Jun‐Gill Kang Jung‐Pyo Hong Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):231-232
In the crystal structure of the title compound, 4‐cyano‐N‐(4‐methoxybenzylidene)phenylamine N‐oxide, C15H12N2O2, the 4‐methoxyphenyl is approximately coplanar with the nitrone moiety but significantly rotated with respect to the 4‐cyanophenyl moiety. The extent of this rotation is significantly different for the two crystallographically independent molecules of the asymmetric unit [dihedral angles of 19.4 (1) and 26.5 (1)°]. The geometry about the C=N bond is Z. The two molecules are related to one another by a pseudo inversion centre. 相似文献
15.
Tuncay TuncÛ Habibe Tezcan Musa Sar Orhan Büyükgüngr Rahmi Ya?basan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o528-o529
Molecules of the title compound (alternative name: p‐nitrobenzaldehyde phenylhydrazone), C13H11N3O2, adopt an E configuration about the azomethine C=N double bond. Molecules are approximately planar and the dihedral angle between the planes of the phenyl rings is 11.62 (9)°. Hydrogen bonding links molecules related by 42 screw axes to form helices with a pitch of 7.7186 (8) Å. 相似文献
16.
Marco Crisma Claudio Toniolo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o215-o217
The preparation, characterization, and molecular and crystal structures of the title compound [IUPAC name: 2‐nitrophenyl 2‐methyl‐2‐(para‐toluenesulfonylamino)propanoate], C17H18N2O6S, are reported. The phenyl group is almost perpendicular to the plane of the adjacent ester moiety. One O atom of the nitro group is wedged between the two ester O atoms. The implications of this peculiar conformation for the chemistry of ortho‐nitrophenyl esters in peptide synthesis are discussed. 相似文献
17.
Arthur Camerman Andrew Hempel Donald Mastropaolo Norman Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o190-o192
4‐[N‐(2‐Chloro‐6‐methylphenyl)ureido]pyridinium chloride, C13H13ClN3O+·Cl− (CI‐953 hydrochloride), crystallizes with Z′ = 2 in P. In both molecules, the methyl groups and Cl atoms on the benzene rings are disordered. The benzene rings of molecules A and B adopt two conformations, differing by a rotation of 180° about the C—N bond to the ureido group, in an approximate 1:1 ratio. This disorder is further enhanced by the rotation of the methyl groups in both adopted positions. The pyridine and benzene rings intersect at angles of 102.1 (1) and 111.3 (1)° for A and B, respectively. Hydrogen bonding is mediated by Cl− anions, resulting in indirect connectivity between the molecules. Superposition of the molecular structure, after 180° rotation about an amide bond, with that of phenytoin shows that the chemically different molecules possess stereochemical features in common, which may explain their common activities. 相似文献
18.
Catherine Michaux Caroline Charlier Fabien Julmont Jean‐Michel Dogn Xavier De Leval Bernadette Norberg Bernard Pirotte Franois Durant 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o88-o89
The title compound, C12H12N2O3S, is a strict pyridine analogue of nimesulide, a selective inhibitor of cyclooxygenase‐2. The structure is characterized by a pyridinium ring with a deprotonated sulfonamide group. An intermolecular charge‐assisted hydrogen bond between these two groups is observed within the crystal packing, linking the molecules into an infinite chain running along the b‐axis direction. 相似文献
19.
Laura Andrau Jonathan White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o60-o61
The crystal structure of N‐methyl‐4‐piperidyl 2,4‐dinitrobenzoate, C13H15N3O6, (I), at 130 (2) K reveals that, in the solid state, the molecule exists in the equatorial conformation, (Ieq). Thus, the through‐bond interaction present in the axial conformation, (Iax), is not strong enough to overcome the syn–diaxial interactions between the axial methyl substituent and the axial H atoms on the two piperidyl ring C atoms either side of the ester‐linked ring C atom. The carboxylate group in (I) is orthogonal to the aromatic ring, in contrast with other 2,4‐dinitrobenzoates, which are coplanar. The piperidyl–ester C—O bond distance is 1.467 (3) Å, which is actually shorter than other equatorial cyclohexyl–ester C—O distances. This shorter piperidyl–ester C—O bond distance is due to the reduced electron demand of the orthogonal ester group. 相似文献
20.
Gang Xue Wen Xu Wentao Yu Qi Fang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):m27-m29
The title compound, (C7H10N)[Ni(C3S5)2] or (Etpy)[Ni(dmit)2] (where Etpy is the N‐ethylpyridinium cation, C7H10N+, and dmit is the 2‐thioxo‐1,3‐dithiole‐4,5‐dithiolate dianion, C3S52−), crystallizes in the P space group with two molecules in the asymmetric unit. The [Ni(dmit)2]− monoanion has a planar D2h conformation, with the central Ni atom and the four coordinated S atoms forming an NiS4 square plane. The six‐membered ring of the Etpy cation also shows good planarity, as expected. There are two main types of disorder in the two Etpy cations. Several short intermolecular interactions are present, such as S⋯S, Ni⋯S and Ni⋯Ni, which help to form the enhanced three‐dimensional structure of the crystal. 相似文献