共查询到20条相似文献,搜索用时 15 毫秒
1.
K. Sethu Sankar S. Kannadasan D. Velmurugan P. C. Srinivasan S. Shanmuga Sundara Raj H.‐K. Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o277-o279
The title compound, C28H27N3O4S, crystallizes in the centrosymmetric space group P21/n, with one molecule in the asymmetric unit. In the indole ring, the dihedral angle between the fused rings is 3.6 (1)°. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 79.2 (1)° with the best plane of the indole moiety. The phenyl ring of the dimethylaminophenyl group is orthogonal to the phenyl ring of the phenylsulfonyl group. The dihedral angle formed by the weighted least‐squares planes through the pyrrole ring and the phenyl ring of the dimethylaminophenyl group is 7.8 (1)°. The molecular structure is stabilized by C—H?O and C—H?N interactions. 相似文献
2.
Deepak Chopra T. P. Mohan B. Vishalakshi T. N. Guru Row 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o540-o543
The crystal structures of the title compounds, viz. C24H14F2N2O2, (I), and C25H17FN2O2, (II), respectively, have been determined in order to unravel the role of an ordered F atom in generating stable supramolecular assemblies. On changing the substitution from fluorine to a methyl group, C—H⋯F interactions are replaced by C—H⋯π interactions, revealing the importance of such weak interactions when present alongside N—H⋯O and C—H⋯O hydrogen bonds. The dihedral angle between the planes of the 4‐fluorophenyl ring and the pyridine ring is 26.8 (1)° in (I), while that between the planes of the 4‐methylphenyl and pyridine rings is 29.5 (1)° in (II). 相似文献
3.
Paul G. Jene James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):705-707
The crystal structures of two elaborated‐porphyrin precursors have been determined. In the crystalline state, 2‐(1,3‐dithian‐2‐yl)benzaldehyde, C11H12OS2, has its dithiane ring in a slightly distorted chair conformation. The molecules pack in anti‐parallel chains. N‐{2‐[2‐(1,3‐Dioxan‐2‐yl)phenoxy]ethyl}phthalimide, C20H19NO5, is in a folded conformation. The dihedral angle between the phthalimide and phenyl planes is 80.07 (3)°. In the crystalline states, molecules stack on top of one another. 相似文献
4.
Robert W. Janes 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):508-509
In the title compound, C10H9F3N5S+·Cl?, which was developed as a potential anticonvulsant, the phenyl ring, the thiadiazole ring and the guanidinium moiety are all planar. There is a dihedral angle of 48.9 (1)° between the thiadiazole and phenyl rings which prevents steric hindrance arising from the π bonds within the former, and the trifluorophenyl moiety attached to the latter. The thiadiazole and guanidinium moieties are twisted by 12.7 (2)° with respect to each other. An extensive network of hydrogen bonds, predominantly involving the chloride ion, maintains the crystal structure. 相似文献
5.
Shou‐Zhi Pu Gang Liu Bing Chen Ru‐Ji Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(10):o599-o601
The title compound, C27H18F6S2, a novel photochromic hybrid diarylethene derivative containing 2‐ and 3‐thienyl substituents, is one of the most promising photochromic candidates with shorter wavelength for optical storage and other optoelectronic devices. In the crystal structure, the molecule adopts a photoactive antiparallel conformation. The distance between the two reactive C atoms, i.e. the ring C atoms to which the methyl groups are attached, is 3.430 (4) Å. The dihedral angles between the thienyl and adjacent phenyl rings are 26.8 (2) and 33.98 (9)°. 相似文献
6.
L. Govindasamy D. Velmurugan V. Raghukumar Il‐Hawn Suh V. T. Ramakrishnan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):80-81
In the title compound, C29H30N6, the naphthyridine ring is almost planar with a dihedral angle of 5.4 (1)° between the pyridyl rings. The dihedral angles between the naphthyridine system and the diethylaminophenyl, phenyl and pyrrolidine rings are 53.1 (1), 19.8 (1) and 20.9 (1)°, respectively. The pyrrolidine ring adopts a half‐chair conformation. The molecule is stabilized by weak C—H?N interactions. 相似文献
7.
Hoong‐Kun Fun R. Sankaranarayanan D. Velmurugan S. Shanmuga Sundara Raj G. Babu P. T. Perumal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):475-476
In the title compound, C26H22N2O2S, the tetrahydropyridine ring has a conformation intermediate between half‐chair and sofa. The tetrahydroquinoline mean plane makes a dihedral angle of 73.3 (1)° with the cyclopentene ring, which adopts an envelope conformation, and an angle of 45.45 (4)° with the indole best plane. The dihedral angle between the benzene and pyrrole rings is 2.6 (1)°. The orientations of the phenyl ring on the sulfonyl group and of the indole are governed by weak C—H?O interactions. The packing of the molecule in the solid state is stabilized by C—H?O and C—H?N hydrogen bonds. 相似文献
8.
Xiang Zhou Xiao‐Bing Wang Ling‐Yi Kong 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):o58-o61
In the title compound, C23H26N2O4·H2O, the benzopyran ring system is planar. The piperazine ring adopts an almost perfect chair conformation, and the methoxy group is coplanar with its parent benzene ring. Hydrogen bonds link two water molecules and two piperazine molecules into tetrameric units. The adjacent benzopyran moieties within these units also interact viaπ–π stacking interactions, and a sheet is formed by the propagation of these interactions. The bioassay results have shown α1‐adrenoceptor antagonistic activity through in vitro animal experiments. 相似文献
9.
Cline Besnard Christian Kloc Theo Siegrist Christer Svensson Krystian Pluta 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o377-o379
The molecules of the title compound, C26H15N3S, have a pentacyclic ring system which is almost planar, with the central ring in a flattened boat conformation. The folding angle between the two quinoline rings is 6.75 (7)°. The 14‐phenyl substituent is in a quasi‐axial conformation, while the 14‐cyano substituent is in a quasi‐equatorial conformation with respect to the thiopyran ring. The S⋯C—Cphenyl and S⋯C—CCN angles are 116.8 (2) and 129.3 (2)°, respectively. The plane of the phenyl group is nearly coplanar with the plane bisecting the dihedral angle of the pentacyclic ring system. 相似文献
10.
Zao‐Zao Qiu Xin‐Ping Hui Peng‐Fei Xu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o475-o476
The structure of the title compound, C22H24N2O9S2, is described. This compound consists of a sugar ring and a heterocyclic base linked unusually by an S atom. The sugar is in a 4C1 chair conformation and forms dihedral angles of 49.54 (4) and 33.42 (5)° with the thiadiazole and phenyl rings, respectively. The S atom occupies an equatorial position of the sugar ring and lies 1.807 (2) Å out of the corresponding mean plane. 相似文献
11.
Arzu
zek idem Albayrak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o177-o180
The title compounds, (E)‐2‐[(2‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (I), (E)‐2‐[(3‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (II), and (E)‐2‐[(4‐bromophenyl)iminomethyl]‐4‐methoxyphenol, C14H12BrNO2, (III), adopt the phenol–imine tautomeric form. In all three structures, there are strong intramolecular O—H⋯N hydrogen bonds. Compound (I) has strong intermolecular hydrogen bonds, while compound (III) has weak intermolecular hydrogen bonds. In addition to these intermolecular interactions, C—H⋯π interactions in (I) and (III), and π–π interactions in (I), play roles in the crystal packing. The dihedral angles between the aromatic rings are 15.34 (12), 6.1 (3) and 39.2 (14)° for (I), (II) and (III), respectively. 相似文献
12.
Bin Li Hai‐Bin Song Chi‐Tung Hsu Ke‐Liang Zhang Chao Wu Hua‐Zheng Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o114-o117
The molecular structures of 2‐[4‐chloro‐2‐fluoro‐5‐(prop‐2‐ynyloxy)phenyl]‐1,3,4,5,6,7‐hexahydroisoindole‐1,3‐dione, C17H13ClFNO3, (I), and the isomeric compound 2‐[4‐chloro‐2‐fluoro‐5‐(prop‐2‐ynyloxy)phenyl]‐cis‐1,3,3a,4,7,7a‐hexahydroisoindole‐1,3‐dione, (II), are, as anticipated, significantly different in their conformations and in the distances between the farthest two atoms. The six‐membered ring of the 1,3,4,5,6,7‐hexahydroisoindole‐1,3‐dione moiety in (I) adopts a half‐chair conformation. The dihedral angle between the five‐membered dione ring of (I) and the benzene ring is 50.96 (7)°. The six‐membered ring of the cis‐1,3,3a,4,7,7a‐hexahydroisoindole‐1,3‐dione moiety in (II) adopts a boat conformation. The dihedral angle in (II) between the five‐membered dione ring and the benzene ring is 61.03 (13)°. In the crystal structures, the molecules are linked by C—H⋯O hydrogen bonds and weak π–π interactions. Compound (I) is a much more potent herbicide than (II). The Cl⋯H distances between the farthest two atoms in (I) and (II) are 11.37 and 9.97 Å, respectively. 相似文献
13.
Gnana Sutha Siluvai Babu Varghese Narasimha N. Murthy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o380-o382
In the title salt, 1,3‐bis{[2‐(2‐pyridinio)ethyl][2‐(2‐pyridyl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4−·2H2O, the cation contains two ethylpyridyl and two ethylpyridinium pendant pairs anchored to the two N atoms of 1,3‐phenylenediamine. The pyridyl and pyridinium N atoms are flanked by a molecule of water through strong hydrogen‐bonding interactions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water molecules have weak hydrogen‐bonding interactions with the perchlorate anions as well. One of the perchlorate anions is severely disordered. 相似文献
14.
Marciela Scarpellini Ademir Neves Adailton J. Bortoluzzi Antnio C. Joussef 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):356-358
In the title mononuclear complex, [Cu(C5H9N3)(C10H15N5)](ClO4)2, the CuII centre is surrounded by two N‐donor ligands, which impose a square‐pyramidal environment on the metal. The new tridentate ligand [2‐(imidazol‐4‐yl)ethyl][(1‐methylimidazol‐2‐yl)methyl]amine (HISMIMA) lies in the basal plane, while the histamine ligand occupies the apical and one of the basal positions around the CuII ion. 相似文献
15.
Onur ahin Orhan Büyükgüngr Selami amaz Nurhan Gümrüküolu Cihan Kantar 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o643-o646
The title compounds, C10H12N4, (I), and C9H10N4, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), molecules are linked principally by N—H⋯N hydrogen bonds involving the amino NH2 group and a triazole N atom, forming R44(20) and R24(10) rings which link to give a three‐dimensional network of molecules. The hydrogen bonding is supported by two different C—H⋯π interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C—H⋯π interactions produce R34(15) and R44(21) rings. 相似文献
16.
idem Yüksektepe Hanife Saraolu Murat Koca Alaaddin ukurovali Nezihe alkan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o509-o510
The structure of the title compound, C20H18O2, consists of a dimeric arrangement of benzofuran molecules around an inversion centre, linked via C—H⋯O hydrogen bonds. There are also C—H⋯π ring interactions. All these interactions result in the formation of infinite chains parallel to the [100] axis. The cyclobutane ring is puckered, with a dihedral angle of 29.03 (13)° between the two three‐atom planes. 相似文献
17.
Sabahat
zcan Engin Kendi Meral Tunbilek Hakan Gker 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):459-460
The title compound, C21H23ClN4O2·0.5H2O, contains two independent molecules in the asymmetric unit. In each molecule the piperazine ring adopts a chair conformation; the deviations of the piperazine N atoms from the best plane through the remaining four C atoms are ?0.678 (3) and 0.662 (3) Å in molecule A, and 0.687 (3) and ?0.700 (3) Å in molecule B. The molecules are linked by two hydrogen bonds of the O—H?N type involving the O atom of the water molecule of crystallization. 相似文献
18.
Yuekun Zhao Madeleine Helliwell John A. Joule 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):714-715
Vilsmeier formylation of trans‐1‐(4‐methylphenylsulfonyl)‐2,5‐bis(pyrrol‐2‐yl)pyrrolidine leads to cleavage of the central ring then a reclosure resulting in the formation of trans‐N‐[2‐formyl‐4‐(5‐formylpyrrol‐2‐yl)‐4,5,6,7‐tetrahydroindol‐7‐yl]toluenesulfonamide, C21H21N3O4S. 相似文献
19.
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
20.
T. Ravishankar K. Chinnakali N. Arumugam P. C. Srinivasan Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o137-o140
In the title compound, C24H20Br2N2O4S, the indole ring system is planar and the S atom has a distorted tetrahedral configuration. The sulfonyl‐bound phenyl ring is orthogonal to the indole ring system and the conformation of the phenylsulfonyl substituent with respect to the indole moiety is influenced by intramolecular C—H⃛O hydrogen bonds involving the two sulfonyl O atoms. The mean plane through the acetylamido group makes a dihedral angle of 57.0 (1)° with the phenyl ring of the benzyl moiety. In the crystal, glide‐related molecules are linked together by N—H⃛O hydrogen bonds and C—H⃛π interactions to form molecular chains, which extend through the crystal. Inversion‐related chains are interlinked by C—H⃛π interactions to form molecular layers parallel to the bc plane. These layers are interconnected through π–π interactions involving the five‐ and six‐membered rings of the indole moiety. 相似文献