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1.
Veysel T. Yilmaz Canan Kazak Cumhur Kirilmis Murat Koca Frank W. Heinemann 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o438-o441
The molecules of 2‐benzoyl‐1‐benzofuran, C15H10O2, (I), interact through double C—H⋯O hydrogen bonds, forming dimers that are further linked by C—H⋯O, C—H⋯π and π–π interactions, resulting in a three‐dimensional supramolecular network. The dihedral angle between the benzoyl and benzofuran fragments in (I) is 46.15 (3)°. The molecules of bis(5‐bromo‐1‐benzofuran‐2‐yl) ketone, C17H8Br2O3, (II), exhibit C2 symmetry, with the carbonyl group (C=O) lying along the twofold rotation axis, and are linked by a combination of C—H⋯O and C—H⋯π interactions and Br⋯Br contacts to form sheets. The stability of the molecular packing in 3‐mesityl‐3‐methylcyclobutyl 3‐methylnaphtho[1,2‐b]furan‐2‐yl ketone, C28H28O2, (III), arises from C—H⋯π and π–π stacking interactions. The fused naphthofuran moiety in (III) is essentially planar and makes a dihedral angle of 81.61 (3)° with the mean plane of the trimethylbenzene ring. 相似文献
2.
Na Liu Ai‐Ling Cheng En‐Qing Gao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o93-o95
In 3,4‐di‐2‐pyridyl‐1,2,5‐oxadiazole (dpo), C12H8N4O, each molecule resides on a twofold axis and interacts with eight neighbours via four C—H⋯N and four C—H⋯O interactions to generate a three‐dimensional hydrogen‐bonded architecture. In the perchlorate analogue, 2‐[3‐(2‐pyridyl)‐1,2,5‐oxadiazol‐4‐yl]pyridinium perchlorate, C12H9N4O+·ClO4− or [Hdpo]ClO4, the [Hdpo]+ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intramolecular N⋯H⋯N hydrogen bond. The cations and perchlorate anions are linked through C—H⋯O hydrogen bonds and π–π stacking interactions to form one‐dimensional tubes along the b‐axis direction. 相似文献
3.
Muharrem Diner brahim Ylmaz Namk
zdemir Alaaddin ukuroval Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o13-o15
In the title compound, 2‐hydroxy‐1,2‐diphenylethanone 4‐ethylthiosemicarbazone, C17H19N3OS, the thiosemicarbazone moiety is planar and has an E configuration. The planar phenyl rings make dihedral angles of 82.34 (8) and 8.07 (17)° with the plane of the thiosemicarbazone moiety. The crystal structure contains two intramolecular (N—H⋯O and N—H⋯N) and one intermolecular interaction (O—H⋯S), as well as two C—H⋯π(benzene) interactions. Molecules are stacked in columns running along the a axis. Molecules in each column are connected to each other by means of linear O—H⋯S hydrogen bonds and C—H⋯π interactions. In addition, there are also C—H⋯π(benzene) interactions between the columns. 相似文献
4.
Yao‐Cheng Shi Bei‐Bei Zhu Chun‐Xia Sui 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m577-m580
Molecules of 1‐acetyl‐3‐ferrocenyl‐5‐methyl‐1H‐pyrazole, [Fe(C5H5)(C11H11N2O)], form a centrosymmetric dimer generated by a combination of one C—H⋯π(pyrazole) and one C—H⋯π(cyclopentadienyl) interaction. The dimers are linked by C—H⋯π interactions, involving the pyrazole rings as acceptors, into layers parallel to (10). Molecules of 1‐acetyl‐5‐ferrocenyl‐3‐(2‐pyridyl)‐1H‐pyrazole, [Fe(C5H5)(C15H12N3O)], are linked by C—H⋯O interactions into a chain running in the [010] direction. Two chains of this type passing through each unit cell are connected by O⋯π(pyridyl) interactions into an [010] double chain. 相似文献
5.
Muharrem Diner Namk
zdemir Sinan Saydam
zer Bekarolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):o89-o91
The molecule of the title compound, C18H24N2O2, resides on a crystallographic inversion centre. The molecule adopts a transoid conformation with respect to the central C—C single bond and is in the meso form. A polarimetric study of the compound did not show any optical activity, indicating that the compound is a racemic mixture entirely consistent with the centrosymmetric space group. In the molecule, there is one intramolecular N—H⋯O interaction, resulting in the formation of a five‐membered ring. In the crystal structure, intermolecular O—H⋯N and C—H⋯O interactions are also observed. These interactions form an R22(9) ring and one‐dimensional linear chains of edge‐fused rings running parallel to the [010] direction, which stabilize the crystal packing. 相似文献
6.
Canan Kazak Veysel T. Yilmaz Suleyman Servi Murat Koca Frank W. Heinemann 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o348-o350
The title compounds, 1,3‐dibenzoylimidazolidine‐2‐thione, C17H14N2O2S, (I), and 1,3‐dibenzoyl‐3,4,5,6‐tetrahydropyrimidine‐2(1H)‐thione, C18H16N2O2S, (II), were obtained from the reactions of imidazolidine‐2‐thione and 1,4,5,6‐tetrahydropyrimidine‐2‐thiol, respectively, with benzoyl chloride. Compounds (I) and (II) contain, respectively, imidazolidinethione [C=S = 1.6509 (14) Å] and pyrimidinethione [C=S = 1.6918 (19) Å] moieties bonded to two benzoyl rings. The molecules of (I) exhibit C2 symmetry, the C=S bond lying along the twofold rotation axis, while the molecules of (II) have mirror symmetry (Cs). The imidazolidine ring in (I) is essentially planar, while the pyrimidine ring in (II) adopts a boat conformation. Molecules of (I) are linked by weak intermolecular C—H⋯O interactions, while molecules of (II) are held together by van der Waals interactions. 相似文献
7.
Chenguang Li Paul D. Robinson Daniel J. Dyer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o596-o598
The two components of the title heterodimer, C17H21NO2·C8H5NO2, are linked end‐to‐end via O—H⋯O(=C) and C—H⋯O(=C) hydrogen‐bond interactions. Additional lateral C—H⋯O interactions link the dimers in a side‐by‐side fashion to produce wide infinite molecular ribbons. Adjacent ribbons are interconnected viaπ–π stacking and C—H⋯π(arene) interactions. This structure represents the first evidence of robust hydrogen‐bond formation between the moieties of pyridin‐4(1H)‐one and benzoic acid. 相似文献
8.
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
9.
A. N. C. Ltter M. A. Fernandes W. A. L. van Otterlo C. B. de Koning 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o157-o159
The title compound, C15H11Cl2NO, was synthesized from N‐benzylisatin. The compound crystallizes as stacks of molecules running down the c axis. Molecules within each of these stacks interact with each other through π–π and C—H⋯π interactions, and interact with neighbouring stacks through C—H⋯O interactions. 相似文献
10.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
11.
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
12.
Yavuz Kysal amil Ik Gülay ahin Erhan Palaska 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o542-o544
The structures of N‐ethyl‐3‐(4‐fluorophenyl)‐5‐(4‐methoxyphenyl)‐2‐pyrazoline‐1‐thiocarboxamide, C19H20FN3OS, (I), and 3‐(4‐fluorophenyl)‐N‐methyl‐5‐(4‐methylphenyl)‐2‐pyrazoline‐1‐thiocarboxamide, C18H18FN3S, (II), have similar geometric parameters. The methoxy/methyl‐substituted phenyl groups are almost perpendicular to the pyrazoline (pyraz) ring [interplanar angles of 89.29 (8) and 80.39 (10)° for (I) and (II), respectively], which is coplanar with the fluorophenyl ring [interplanar angles of 5.72 (9) and 10.48 (10)°]. The pyrazoline ring approximates an envelope conformation in both structures, with the two‐coordinate N atom involved in an intramolecular N—H⋯Npyraz interaction. In (I), N—H⋯O and C—H⋯S intermolecular hydrogen bonds are the primary interactions, whereas in (II), there are no intermolecular hydrogen bonds. 相似文献
13.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
14.
Fumio Imashiro 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o410-o411
Molecules of the title compound, C16H22O4S, have twofold crystallographic symmetry and are stabilized by strong intramolecular O—H⋯O hydrogen bonds and very weak intermolecular C—H⋯O hydrogen bonds, forming layers normal to the c axis. The molecular structure is compared with those of the Se‐ and CH2‐bridged analogues. 相似文献
15.
G. Y. S. K. Swamy K. Ravikumar B. Sridhar I. Mahender K. V. N. S. Srinivas 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o495-o497
The title compound [systematic name: 5‐hydroxy‐2‐(3‐hydroxy‐4,5‐dimethoxyphenyl)‐3,6,7‐trimethoxy‐4H‐chromen‐4‐one], C20H20O9, was isolated from the seeds of Cleom viscosa Linn. Two independent molecules (A and B) are present in the asymmetric unit with almost similar conformations. The dihedral angles between the fused chromene ring system and the benzene ring bonded to it in molecules A and B are 4.2 (1) and 12.7 (1)°, respectively. The hydroxy O atoms are involved in intramolecular hydrogen bonding. The molecules are linked by C—H⋯O and O—H⋯O interactions into chains of edge‐fused R33(22) rings. Aromatic π–π and weak C—H⋯π(arene) interactions are also observed. 相似文献
16.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m406-m408
The title complex, [Cu(C11H14BrN2O)(NCS)]n, is an interesting thiocyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent molecules in the asymmetric unit. Each CuII atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethylamino)ethyliminomethyl]phenolato}copper(II) units are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. There are weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure. 相似文献
17.
Leji Latheef E. Manoj M. R. Prathapachandra Kurup 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o16-o18
The title compound, C14H19N3OS, is in the thioketo form, with the thione S and hydrazine N atoms cis with respect to each other so that the S atom is involved in inter‐ and intramolecular hydrogen bonds simultaneously. Intermolecular C—H⋯S and C—H⋯O hydrogen bonds result in one‐dimensional polymeric chains of molecules along the a axis. A weak C—H⋯π ring interaction binds the polymeric chains together. 相似文献
18.
Graeme J. Gainsford Cornelis Lensink Andrew Falshaw 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o650-o652
The novel title compound, C25H31O6P, contains rigid fused rings which are shown to be similar to the precursor structures. Weak C—H⋯O intermolecular interactions produce two‐dimensional sheets composed of R44(28) rings. 相似文献
19.
K. Manoj S. Devaraj R. G. Gonnade M. M. Bhadbhade M. S. Shashidhar 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o628-o630
The centrosymmetric O—H⋯O‐bonded head‐to‐head dimers of the title compound, C21H22O6, are linked together via bifurcated C—H⋯O interactions along the a axis and via favourable C—H⋯π interactions along the b axis in the crystal structure. 相似文献
20.
Marina S. Fonari Eduard V. Ganin Wen‐Jwu Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o431-o433
In the centrosymmetric formula unit of the title complex, C8H16O4·2C18H16S, the 1,4,7,10‐tetraoxacyclododecane molecule adopts the biangular [66] conformation, and the triphenylmethanethiol molecules are linked to the macrocycle via a long S—H⋯O hydrogen bond [S⋯O = 3.460 (2) Å and S—H⋯O = 161 (2)°]. Attractive interactions of phenyl groups in edge‐to‐face conformations combine inversion‐related formula units into chains running along the [111] direction in the crystal structure. Association of the chains into sheets is achieved via C—H⋯π interactions. 相似文献