共查询到20条相似文献,搜索用时 15 毫秒
1.
Daniel E. Lynch Karl A. Byriel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e400-e400
In the title compound, C17H20N2O, (I), the dihedral angle between the two phenyl rings is 15.69 (6)°. An intermolecular hydrogen‐bonding association exists between the hydroxy group and one of the azo N atoms. 相似文献
2.
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
3.
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
4.
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
5.
Joseph P. A. Harrity Harry Adams Mark W. Davies Robert A. J. Wybrow Christopher N. Johnson 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o168-o169
A novel [3+2]‐cycloaddition reaction of alkynylboronates and nitrile oxides gave the title compound, C22H32BNO3, as a single regioisomer. The X‐ray crystal structure analysis of this compound shows two independent molecules in the asymmetric unit, each with approximately coplanar isoxazole and boronate rings. 相似文献
6.
Christophe M. L. Vande Velde Herman J. Geise Frank Blockhuys 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o21-o24
In the title compound, C30H34O8, molecular symmetry is coincident with crystallographic inversion symmetry. A three‐dimensional network is generated containing both C—H·π and C—H·n(O) interactions. A comparison of the geometry of this molecule and the structure of a number of 2,4,6‐trimethoxy‐substituted analogues is provided. 相似文献
7.
Robert T. Stibrany Patrick Brant 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):644-645
In the title compound, [(CH3)2(C7H7)NH][(C6F5)3B(OH)] or C9H14N+·C18HBF15O?, the distorted tetrahedral borate anions are strongly hydrogen bonded to the substituted ammonium cations. The N?O separation in the N—H?O hydrogen bond is 2.728 (3) Å. 相似文献
8.
Jianxing Zhang Shou‐Feng Chen Kevin K. Klausmeyer Robert R. Kane 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o381-o382
In the crystal structure of the title compound, C18H20O5, all geometric parameters fall within experimental error of the expected values. Analysis of the molecular‐packing plots reveals an infinite one‐dimensional linear array running parallel to the c axis, formed by an O—H⃛O intermolecular hydrogen‐bonding interaction. The stilbene framework and most of the substituents are approximately coplanar. 相似文献
9.
A. Jeyabharathi M. N. Ponnuswamy S. Nanjundan Hoong‐Kun Fun Suchada Chantrapromma Anwar Usman Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o26-o28
Chalcones (α,β‐unsaturated ketones) are effective antitumour agents. It has been proved that having halogen or methoxy groups substituted in various positions of the phenyl ring enhances the activity of chalcones many times. The title compounds, C21H20O5 and C19H15BrO3, respectively, were chosen for crystallographic study in order to determine their structures and conformations. In both compounds, the keto group is in the s‐cis conformation and is almost planar. There are weak intramolecular interactions in both structures. 相似文献
10.
Manfredo Hrner Leandro Bresolin Jairo Bordinhao Edmund Hartmann Joachim Strhle 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o426-o427
The structure of the title compound, C12H9N5O4, reveals an almost planar molecule (r.m.s. deviation = 0.061 Å), in which the interplanar angle between the phenyl rings is 5.7 (1)° and the largest interplanar angle is that between the phenyl ring and the nitro group of one of the 4‐nitrophenyl substituents [8.8 (3)°]. The observed molecular conformation suggests a delocalization of π‐electrons extended over the diazoamine group and the terminal aryl substituents. Intermolecular N—H⃛O interactions between the twofold screw‐related molecules give rise to helical chains along the [010] direction. Intermolecular C—H⃛O interactions then generate sheets of molecules in the (10) plane, and these sheets are held together by N⃛C and O⃛O π–π interactions. 相似文献
11.
C. Malla Reddy Ashwini Nangia Ram K. R. Jetti Roland Boese 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o331-o333
The crystal structure of the title compound, alternatively called 1,2,3‐triiodo‐5‐(triphenylmethyl)benzene, C25H17I3, is analysed in terms of I⋯I and I⋯π interactions and the herring‐bone T motif between phenyl groups. There are two molecules in the asymmetric unit, denoted A and B. Inversion‐related A molecules are connected via an I⋯π interaction (3.641 Å, to a C—C bond mid‐point) to form an I⋯π dimer, and these dimers are connected through symmetry‐independent B molecules via I⋯I [3.5571 (15) Å] and I⋯π (3.561 Å, to a C—C bond mid‐point) interactions. 相似文献
12.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o46-o47
In the title complex, the 1:1 ionic adduct of hexamethylenetetraminium and 2,4,6‐trinitrophenolate, C6H13N4+·C6H2N3O7?, the cation acts as a donor for bifurcated hydrogen bonds to the O atoms of the phenolate and one of the nitro groups of the 2,4,6‐trinitrophenolate anion. The crystal structure is built from sheets of cations and anions, and is stabilized by intermolecular C—H?O and C—H?π interactions. 相似文献
13.
John Nicolson Low Christopher Glidewell James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):689-691
In the title compound, C13H11NO4S2, the nitro group is rotated by 44.1 (1)° out of the plane of the adjacent aryl ring and the toluenethiosulfonate group is almost orthogonal to the plane of the nitrated aryl ring. There are three types of C—H?O hydrogen bond in the structure [C?O range 3.324 (3)–3.503 (3) Å; C—H?O range 160–173°] and these link the molecules into a three‐dimensional framework. 相似文献
14.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o547-o549
The title compound, C16H12Cl2N2, crystallizes in the centrosymmetric space group P21/c. Two independent but chemically identical molecules comprise the asymmetric unit and in each of these the pyrazole ring is planar. 相似文献
15.
Manfredo Hrner Julieta Saldanha de Oliveira Jairo Bordinhao Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m586-m587
In the centrosymmetric title complex, [Ni(C7H7N4O3)2(C5H5N)2], the coordination geometry about the Ni2+ ion is octahedral, with two deprotonated 1‐methyl‐3‐(p‐nitrophenyl)triazenide 1‐oxide ions, viz. [O2NC6H4NNN(O)CH3]?, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) molecules complete the coordination sphere in positions trans to each other. The triazenide 1‐oxide ligand is almost planar, the largest interplanar angle of 8.80 (12)° being between the phenyl ring of the p‐nitrophenyl group and the plane defined by the N3O moiety. The Ni—Ntriazenide, Ni—O and Ni—Npy distances are 2.0794 (16), 2.0427 (13) and 2.1652 (18) Å, respectively. 相似文献
16.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun M. C. Bansal 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o302-o304
The title compound, C19H20O6, crystallizes in the centrosymmetric space group P21/c with one molecule in the asymmetric unit. The molecule is approximately planar and the dihedral angle between the phenyl rings is 11.0 (1)°. The H atoms of the central propenone group are trans. There is an intramolecular O—H⃛O hydrogen bond and the molecules are crosslinked by four intermolecular C—H⃛O hydrogen bonds, producing a three‐dimensional network. 相似文献
17.
Ilia A. Guzei Benjamin C. Gorske Helen E. Blackwell 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o286-o288
The title compound, C10H8F5NO, crystallizes as a racemate with four symmetry‐independent molecules in the asymmetric unit. The four molecules form two hydrogen‐bonded pairs. Each pair is a building unit of an independent C(4) chain propagating parallel to the ab plane. 相似文献
18.
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
19.
Maria H. Johansson Stefanus Otto 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):e12-e15
Two different crystals (A and B) were used to structurally characterize trans‐[PtCl2(PPh3)2] and to study random and systematic errors in derived parameters. The compound is isomorphous with trans‐[PdCl2(PPh3)2] and with one of the polymorphs of trans‐[PtMeCl(PPh3)2] reported previously. Half‐normal probability plot analyses based on A and B show realistic s.u.'s and negligible systematic errors. R.m.s. calculations give very good agreement between A and B, 0.0088 Å. Important geometrical parameters are Pt—P = 2.3163 (11) Å, Pt—Cl = 2.2997 (11) Å, P—Pt—Cl = 87.88 (4) and 92.12 (4)°. Half‐normal probability plots and r.m.s. calculations were also used to compare the title compound with the palladium analogue, showing small systematic differences between the compounds. The torsion angles around the Pt—P bond were found to be very similar to those reported for isomorphous complexes, as well as to the torsion angles around the Pt—As bond in trans‐[PtCl2(AsPh3)2]. The NMR coupling constants for the title compound are similar to Pt—P coupling constants reported for analogous trans complexes. 相似文献
20.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e536-e536
The structure of the title compound, C30H24Cl12N12S6, (I), comprises six symmetry unique molecules that vary only slightly in their N—C—S—C torsion angle. All the molecules are planar to within less than 3.1°. 相似文献