共查询到20条相似文献,搜索用时 15 毫秒
1.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
2.
Shu‐Jin Li De‐Chun Zhang Zhong‐Lin Huang Yan‐Qiu Zhang Kai‐Bei Yu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1122-1123
In the cation of the title compound, C15H16NO+·C24H20B?, the pyridyl ring makes a dihedral angle of 14.03° with the phenyl ring. The anion has a slightly distorted tetrahedral geometry and forms honeycomb‐like sheets which extend along the b axis, forming channels containing the cations. A comparison of packing energies reveals a difference between the title compound and a similar material which has non‐linear optical properties. 相似文献
3.
Dan Jin De‐Chun Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o657-o659
In the title compound, C15H13N2+·C24H20B−, the pyridyl ring of the cation makes a dihedral angle of 1.6° with the benzene ring. Each is rotated in the same direction with respect to the central –C—CH=CH—C– linkage, by 3.8 and 5.3°, respectively. The anions have a slightly distorted tetrahedral geometry. Molecular packing analysis was carried out using the packing energy portioning scheme in the program OPEC. Around each anion in the crystal structure there are eight anions, which interact with the central anion through C—H⋯π interactions. The cations are hydrogen bonded in a head‐to‐tail fashion, forming chains along [10]. 相似文献
4.
本文首次合成标题化合物N-(4-甲基苯甲酰氨基)-N’-[5-(2-三氟甲基苯基)-2-呋喃甲酰硫脲。化合物(C21H16F3N3O3S, Mr = 447.43)单晶经测定为单斜晶体,空间群为P -1。在晶体中,存在一些分子内和分子间的相互作用,分子间还有C—H···π 的相互作用,这可能导致晶体更稳定的原因。目标产物的结构经IR, H NMR和元素分析测定确证。初步生物活性测试表明,部分化合物对棉花枯萎病、黄瓜灰霉病、苹果轮纹病和棉花炭疽病有较好的选择性杀菌活性;部分目标化合物有较好的除草活性。 相似文献
5.
In the title compound, germanium is penta‐coordinated and adopts a trigonal bipyramidal geometry. The (2‐thienyl)phenyl group and the nitrogen atom each occupy an apical position with a transannular N→Ge bond distances of 2.247(4) and 2.219(4) Å for the two independent molecules. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
6.
Yurii M. Chumakov Victor I. Tsapkov Gabriele Bocelli Boris Ya. Antosyak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o460-o463
Molecules of the title compounds, C15H14N2O4S·H2O and C15H13BrN2O4S·H2O, adopt an E configuration about the azomethine C=N double bond. In both molecules, the two benzene rings and the azomethine group are practically coplanar, as a result of intramolecular hydrogen bonds involving the hydroxy O atom and azomethine N atom. The angular disposition of the bonds about the S atom deviates significantly from that of a regular tetrahedron. In the crystal structures, both compounds form two‐dimensional layers parallel to the (100) plane. 相似文献
7.
Jan W. Bats Patrick Haufe A. Stephen K. Hashmi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o288-o290
The title compound, C20H20BrNO2S, has two polymorphic crystal structures with very similar lattice constants. A number of crystals are composites of the two polymorphs. Both crystal structures contain identical layers of molecules. The packing of the layers, however, is different for the two polymorphs. 相似文献
8.
Dan Jin Zhao‐Fu Dai De‐Chun Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):o50-o52
In the title compound, C15H16NO+·C24H20B−, the pyridinium ring of the cation makes a dihedral angle of 4.3 (2)° with the benzene ring. Each is rotated in the same direction with respect to the central C—CH=CH—C linkage, by 10.0 (2) and 7.8 (2)°, respectively. The anions have a slightly distorted tetrahedral geometry. The most interesting feature of the structure is that the anions form a honeycomb‐like hexagonal structure down the b axis through C—H...π interactions. The hexagon is constructed from six BPh4− anions. The cations interact in a head‐to‐tail fashion along [010], forming chains, and pack antiparallel inside the above honeycomb‐like structure through C—H...π interactions. 相似文献
9.
N-甲基-2-单芳基苯并噻唑啉 (1) 在固体状态时可以稳定地储藏在空气中。但是,它们在不同溶剂中却表现出了不同的行为。在醇溶液或二甲亚砜-水的体系中,1相对稳定;而在其它有机溶剂如:丙酮,氯仿,二氯甲烷和乙酸乙酯等溶剂中,会发生自发偶联反应生成相应的邻-(N-芳酰基-N-甲氨基苯)-二硫化合物 (2)。对这些新的化合物 (1) 和 (2) 进行了体外人乳腺癌细胞 (MDA-MB-231) 血管内皮生长因子靶点筛选,大部分化合物都表现出了抑制活性。实验结果表明这两类化合物 (1) 和 (2) 作为血管内皮生长因子抑制剂值得进行深入研究。 相似文献
10.
Prof. Dr. Chong‐Bo Liu Hui‐Liang Wen Yun‐Nan Gong Xiao‐Ming Liu Sheng‐Shui Tan 《无机化学与普通化学杂志》2011,637(1):122-129
Four new transition metal complexes: [Cu(Hcppa)2(H2O)2] ( 1 ), [Co2(cppa)2(H2O)10] ( 2 ), [Co3(cpia)2(H2O)8] · 2H2O ( 3 ) and [Ni3(cpia)2(H2O)12] · 6H2O ( 4 ) {H2cppa = 3‐(4‐(carboxymethoxy)phenyl]propanoic acid; H3cpia = N‐[4‐(carboxymethoxy)phenyl]iminodiacetic acid} were synthesized and characterized. Complexes 1 and 2 show mononuclear structures, complexes 3 and 4 exhibit dinuclear structures. All complexes extend to 3D supramolecular networks through hydrogen bonds, of which complexes 3 and 4 display microporous structures. In complexes 2 – 4 the water clusters are trapped by the cooperative association of coordinate interactions as well as hydrogen bonds, forming different 1D metal‐water chain structures. Thermal stabilities of complexes 1 – 4 were discussed. 相似文献
11.
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
12.
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
13.
Kandasamy Chinnakali S. Shanmuga Sundara Raj Hoong‐Kun Fun Kamaraj Sriraghavan Vayalakkavoor T. Ramakrishnan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):227-228
In the title compound, C17H21NO3S, the S atom is in a distorted tetrahedral geometry and the N atom exhibits sp2 character. The antiperiplanar conformation is observed for the N and hydroxyl‐O atoms and the torsion angle around the N—C linkage is ?136.3 (2)°. The molecules are linked by O—H?O intermolecular hydrogen bonds to form an infinite one‐dimensional chains along the c axis. 相似文献
14.
Synthesis of 1‐Acyl‐3,4‐dihydroquinazoline‐2(1H)‐thiones by Cyclization of N‐[2‐(Isothiocyanatomethyl)phenyl] Amides Generated in situ from N‐[2‐(Azidomethyl)phenyl] Amides 下载免费PDF全文
An efficient method for the preparation of 1‐acyl‐3,4‐dihydroquinazoline‐2(1H)‐thiones 5 has been developed. The reaction of N‐[2‐(azidomethyl)phenyl] amides 3 , easily prepared by a three‐step sequence starting with (2‐aminophenyl)methanols, with Ph3P, followed by CS2, allowed generation of N‐[2‐(isothiocyanatomethyl)phenyl]‐amide intermediates 4 , which underwent cyclization on treatment with NaH to furnish the corresponding desired products in generally good yields. 相似文献
15.
Julia Heilmann‐Brohl Matthias Wagner Hans‐Wolfram Lerner Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o364-o368
2‐{1‐[(4‐Chloroanilino)methylidene]ethyl}pyridinium chloride methanol solvate, C13H13ClN3+·Cl−·CH3OH, (I), crystallizes as discrete cations and anions, with one molecule of methanol as solvent in the asymmetric unit. The N—C—C—N torsion angle in the cation indicates a cis conformation. The cations are located parallel to the (02) plane and are connected through hydrogen bonds by a methanol solvent molecule and a chloride anion, forming zigzag chains in the direction of the b axis. The crystal structure of 2‐{1‐[(4‐fluoroanilino)methylidene]ethyl}pyridinium chloride, C13H13FN3+·Cl−, (II), contains just one anion and one cation in the asymmetric unit but no solvent. In contrast with (I), the N—C—C—N torsion angle in the cation corresponds with a trans conformation. The cations are located parallel to the (100) plane and are connected by hydrogen bonds to the chloride anions, forming zigzag chains in the direction of the b axis. In addition, the crystal packing is stabilized by weak π–π interactions between the pyridinium and benzene rings. The crystal of (II) is a nonmerohedral monoclinic twin which emulates an orthorhombic diffraction pattern. Twinning occurs via a twofold rotation about the c axis and the fractional contribution of the minor twin component refined to 0.324 (3). 2‐{1‐[(4‐Fluoroanilino)methylidene]ethyl}pyridinium chloride methanol disolvate, C13H13FN3+·Cl−·2CH3OH, (III), is a pseudopolymorph of (II). It crystallizes with two anions, two cations and four molecules of methanol in the asymmetric unit. Two symmetry‐equivalent cations are connected by hydrogen bonds to a chloride anion and a methanol solvent molecule, forming a centrosymmetric dimer. A further methanol molecule is hydrogen bonded to each chloride anion. These aggregates are connected by C—H...O contacts to form infinite chains. It is remarkable that the geometric structures of two compounds having two different formula units in their asymmetric units are essentially the same. 相似文献
16.
Ana Tesouro Vallina Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):489-490
The title compound, C24H18N4O, is a bis‐bidentate Schiff base ligand exhibiting pseudo‐C2 symmetry. The molecule is twisted about the central ether linkage and exhibits an imine E configuration. In the crystal, the molecules are linked by weak intermolecular C—H?N hydrogen bonds. 相似文献
17.
Triethylgermylation of sulfacetamide occurs on the sulfonamido nitrogen in competition with the 1,2 addition of the starting triethylgermyl dimethylamine on the carbonyl group. Thermal decomposition in the presence of dimethylamine yields N‐triethylgermylsulfanilamide. Stable 1:1 sulfacetamide–DBU and 1:1 sulfacetamide–Et3N complexes were isolated and fully characterized in the course of dehydrochlorination reactions. o‐Sulfonamidophenylamine yields N,N′‐bis‐triethylgermylated derivatives, whereas o‐(N,N‐dimethylsulfonamido)phenylamine leads to monogermylated compounds. The N‐dimethylaminodimesitylgermyl derivative is thermally stable. Dehydrohalogenation of the N‐dimesitylfluorogermyl compound leads to the thermally stable but water sensitive N‐[o‐(N′,N′‐dimethylsulfonamido)phenyl]‐N‐dimesitylgermaimine. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
18.
Benjamin J. Coe James A. Harris Thomas Gelbrich Michael B. Hursthouse 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1487-1489
The crystal structure of the dipolar chromophoric title compound, C20H20N3+·PF6?, is described. The phenylene and pyridyl rings are almost coplanar [dihedral angle 7.5 (2)°], but the phenyl substituent forms a dihedral angle of 56.6 (1)° with the pyridyl ring. The compound crystallizes in the non‐centrosymmetric space group Cc and is a likely candidate for the display of quadratic non‐linear optical effects. 相似文献
19.
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
20.
Richard A. Varga Cristian Silvestru 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m48-m50
The molecular structure of the title compound, [SnBr2(C9H12N)(C9H13N)][SnBr4(C9H12N)], consists of a dibromobis[2‐(dimethylaminomethyl)phenyl][2‐dimethylammoniomethyl)phenyl]tin(IV) cation and a tetrabromo[2‐(dimethylaminomethyl)phenyl]tin(IV) anion. As a result of strong intramolecular N→Sn interactions, distorted trigonal–bipyramidal and octahedral coordination geometries are established for the metal centres of the diorganotin(IV) and monoorganotin(IV) fragments, respectively. The cation and anion are linked together by two Br⋯H contacts, while three additional similar contacts result in a dimeric fragment which repeats in a two‐dimensional supramolecular arrangement. 相似文献