共查询到20条相似文献,搜索用时 31 毫秒
1.
Philip J. Cox Stephen M. MacManus 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o603-o604
Molecules of the title compound, C13H9ClO2, contain an intramolecular O—H...O hydrogen bond, and the two aromatic rings are inclined at 57.02 (3)° with respect to one another. The crystal structure is supported by C—H...O, C—H...π and π–π interactions. 相似文献
2.
Jairo Quiroga Jaime Portilla Michael B. Hursthouse Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(4):o159-o162
Molecules of the title compound [systematic name: (5‐amino‐3‐methylpyrazol‐1‐yl)(phenyl)methanone], C11H11N3O, contain an intramolecular hydrogen bond. The molecules are linked into sheets by a combination of N—H...N, C—H...O and C—H...π(arene) hydrogen bonds. Comparisons are made with the hydrogen‐bonded structures of some related compounds. 相似文献
3.
Lilianna Chciska Agnieszka J. Rybarczyk‐Pirek Zbigniew H. Kudzin Andrzej Okruszek 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(9):o504-o506
The title compound, C25H22O3P2·C6H6O, has a zwitterionic betaine‐like structure and crystallizes as a phenol solvate. The two molecular components are held together by an almost linear intermolecular O—H...O hydrogen bond. The structure also contains three weak C—H...O and two C—H...π(arene) interactions. 相似文献
4.
Bernard Marciniak 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o419-o422
The asymmetric unit of the title compound, C10H8O2, contains two practically planar symmetry‐independent molecules linked by one O—H...O hydrogen bond. Molecules are further linked into a three‐dimensional network, which is built from R66(36), R66(18), R66(30) and R44(26) rings formed by the combined effect of three O—H...O and one C—H...O hydrogen bond. This network is additionally stabilized by an O—H...π interaction. 相似文献
5.
Pinal D. Patel Neha Thakker Urmila H. Patel 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(6):o337-o339
In the title compound, C16H14FN3O2, a diverse set of weak intermolecular C—H...π, π–π and C—H...O interactions link the molecules into sheets. The C—H...O interactions generate centrosymmetric rings with a graph‐set motif of R22(14) and chains with a C(8) motif. 相似文献
6.
Philip J. Cox Marcel Jaspars Yashodharan Kumarasamy Lutfun Nahar Satyajit D. Sarker Mohammad Shoeb 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o520-o522
The crystal structure of 9‐(3‐methylbut‐2‐enyloxy)‐7H‐furo[3,2‐g]chromen‐7‐one–4‐methoxy‐9‐(3‐methylbut‐2‐enyloxy)‐7H‐furo[3,2‐g]chromen‐7‐one (0.926/0.074), 0.926C16H14O4·0.074C17H16O5, is characterized by two independent imperatorin molecules in the asymmetric unit, which exhibit different side‐chain conformations. A small amount of phellopterin overlaps with one of the two imperatorin molecules. The supramolecular structure is supported by C—H...O, C—H...π and π–π interactions. 相似文献
7.
Fernando Cuenú Rodrigo Abonía Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):o589-o592
The intramolecular dimensions of the title compound, C14H12N2O, provide evidence for a polarized electronic structure. The molecule, which is almost completely planar, contains an intramolecular N—H...O hydrogen bond, and the molecules are linked by a combination of N—H...N, C—H...O and C—H...π(arene) hydrogen bonds to form a three‐dimensional framework structure. 相似文献
8.
Sandra L. Gmez Alirio Palma Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):o157-o160
The title compound, C15H16N2O, crystallizes in the space group P212121 with Z′ = 1. The seven‐membered ring adopts a chair‐type conformation with the hydroxy and pyridyl substituents in equatorial sites. Molecules are linked into a three‐dimensional framework structure by a combination of O—H...N, C—H...O and C—H...π(arene) hydrogen bonds, but N—H...O and N—H...π(arene) interactions are absent from the structure. Comparisons are made with some related compounds. 相似文献
9.
Jaime A. Glvez Jairo Quiroga Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):o521-o523
Molecules of the title compound, C9H10N4O3, (I), are linked into complex sheets by a combination of one N—H...O hydrogen bond and two C—H...O hydrogen bonds. Comparisons are drawn between (I) and some related compounds in respect of both their molecular conformations and their hydrogen‐bonding arrangements. 相似文献
10.
Ignasi Mata Elies Molins Mercedes Amat Núria Llor Begoa Checa 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(3):o114-o118
The crystal packing and interaction energy of benzyl carbamate, C8H9NO2, have been analysed in detail by the PIXEL method. Benzyl carbamate forms layers of hydrogen‐bonded molecules, with the layers connected by weaker C—H...π interactions. According to the PIXEL analysis, combinations of C—H...X (X = O, N or π) interactions are comparable in energy with hydrogen bonding. These interactions are necessary for explaining the geometry and the assembly of the layers. 相似文献
11.
Thais C. M. Nogueira Alessandra C. Pinheiro James L. Wardell Marcus V. N. de Souza Jordan P. Abberley William T A Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(8):647-652
Oxazolidin‐2‐ones are widely used as protective groups for 1,2‐amino alcohols and chiral derivatives are employed as chiral auxiliaries. The crystal structures of four differently substituted oxazolidinecarbohydrazides, namely N′‐[(E)‐benzylidene]‐N‐methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C12H12N3O3, (I), N′‐[(E)‐2‐chlorobenzylidene]‐N‐methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C12H12ClN3O3, (II), (4S)‐N′‐[(E)‐4‐chlorobenzylidene]‐N‐methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C12H12ClN3O3, (III), and (4S)‐N′‐[(E)‐2,6‐dichlorobenzylidene]‐N,3‐dimethyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C13H13Cl2N3O3, (IV), show that an unexpected mild‐condition racemization from the chiral starting materials has occurred in (I) and (II). In the extended structures, the centrosymmetric phases, which each crystallize with two molecules (A and B) in the asymmetric unit, form A+B dimers linked by pairs of N—H...O hydrogen bonds, albeit with different O‐atom acceptors. One dimer is composed of one molecule with an S configuration for its stereogenic centre and the other with an R configuration, and possesses approximate local inversion symmetry. The other dimer consists of either R,R or S,S pairs and possesses approximate local twofold symmetry. In the chiral structure, N—H...O hydrogen bonds link the molecules into C(5) chains, with adjacent molecules related by a 21 screw axis. A wide variety of weak interactions, including C—H...O, C—H...Cl, C—H...π and π–π stacking interactions, occur in these structures, but there is little conformity between them. 相似文献
12.
Soumen Ghosh Rupa Mukhopadhyay Madeleine Helliwell Alok K. Mukherjee 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):o496-o500
The pyrazine ring in two N‐substituted quinoxaline derivatives, namely (E)‐2‐(2‐methoxybenzylidene)‐1,4‐di‐p‐tosyl‐1,2,3,4‐tetrahydroquinoxaline, C30H28N2S2O5, (II), and (E)‐methyl 2‐[(1,4‐di‐p‐tosyl‐1,2,3,4‐tetrahydroquinoxalin‐2‐ylidene)methyl]benzoate, C31H28N2S2O6, (III), assumes a half‐chair conformation and is shielded by the terminal tosyl groups. In the molecular packing of the compounds, intermolecular C—H...O hydrogen bonds between centrosymmetrically related molecules generate dimeric rings, viz. R22(22) in (II) and R22(26) in (III), which are further connected through C—H...π(arene) hydrogen bonds and π–π stacking interactions into novel supramolecular frameworks. 相似文献
13.
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
14.
Jairo Quiroga Ana Snchez Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):o374-o376
In the title compound, C28H18FN5, molecules are linked by a combination of N—H...N, C—H...N and C—H...π(arene) hydrogen bonds into complex double chains. The chains enclose cavities, four per unit cell, each of volume ca 102 Å3 and apparently containing disordered solvent. 相似文献
15.
Bernard Marciniak Ewa Rozycka‐Sokolowska 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(12):o630-o634
The structure of 4‐methoxy‐1‐naphthol, C11H10O2, (I), contains an intermolecular O—H...O hydrogen bond which links the molecules into a simple C(2) chain running parallel to the shortest crystallographic b axis. This chain is reinforced by intermolecular π–π stacking interactions. Comparisons are drawn between the crystal structure of (I) and those of several of its simple analogues, including 1‐naphthol and some monosubstituted derivatives, and that of its isomer 7‐methoxy‐2‐naphthol. This comparison shows a close similarity in the packing of the molecules of its simple analogues that form π‐stacks along the shortest crystallographic axes. A substantial spatial overlap is observed between adjacent molecules in such stacks. In this group of monosubstituted naphthols, the overlap depends mainly on the position of the substituents carried by the naphthalene moiety, and the extent of the overlap depends on the substituent type. By contrast with (I), in the crystal structure of the isomeric 7‐methoxy‐2‐naphthol there are no O—H...O hydrogen bonds or π–π stacking interactions, and sheets are formed by O—H...π and C—H...π interactions. 相似文献
16.
J. Suresh R. Vishnupriya S. Sivakumar R. Ranjith Kumar S. Athimoolam 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(7):o257-o261
In the three spiroacenaphthylene structures 5′′‐[(E)‐2,3‐dichlorobenzylidene]‐7′‐(2,3‐dichlorophenyl)‐1′′‐methyldispiro[acenaphthylene‐1,5′‐pyrrolo[1,2‐c][1,3]thiazole‐6′,3′′‐piperidine]‐2,4′′‐dione, C35H26Cl4N2O2S, (I), 5′′‐[(E)‐4‐fluorobenzylidene]‐7′‐(4‐fluorophenyl)‐1′′‐methyldispiro[acenaphthylene‐1,5′‐pyrrolo[1,2‐c][1,3]thiazole‐6′,3′′‐piperidine]‐2,4′′‐dione, C35H28F2N2O2S, (II), and 5′′‐[(E)‐4‐bromobenzylidene]‐7′‐(4‐bromophenyl)‐1′′‐methyldispiro[acenaphthylene‐1,5′‐pyrrolo[1,2‐c][1,3]thiazole‐6′,3′′‐piperidine]‐2,4′′‐dione, C35H28Br2N2O2S, (III), the substituted aryl groups are 2,3‐dichloro‐, 4‐fluoro‐ and 4‐bromophenyl, respectively. The six‐membered piperidine ring in all three structures adopts a half‐chair conformation, the thiazolidine ring adopts a slightly twisted envelope and the pyrrolidine ring an envelope conformation; in each case, the C atom linking the rings is the flap atom. In all three structures, weak intramolecular C—H...O interactions are present. The crystal packing is stabilized through a number of intermolecular C—H...O and C—H...X interactions, where X = Cl in (I) and F or S in (II), and C—H...O interactions are observed predominantly in (III). In all three structures, molecules are linked through centrosymmetric ring motifs, further tailored through a relay of C—H...X [Cl in (I), Br in (II) and O in (III)] interactions. 相似文献
17.
Li‐Ping Lu Shu‐Qin Yao Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):m220-m222
In the title compound, [Cu(C14H9NO3)(H2O)2], which crystallizes with Z = 18 in the space group R, pairs of complexes are linked into dimers by three O—H⋯O hydrogen bonds. Strong O—H⋯O hydrogen bonds link the dimers into one‐dimensional chains that further assemble into tubes through π–π and C—H⋯π interactions. 相似文献
18.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o509-o511
In the title compound, 4‐iodoanilinium 2‐carboxy‐6‐nitrobenzoate, C6H7IN+·C8H4NO6−, the anions are linked by an O—H...O hydrogen bond [H...O = 1.78 Å, O...O = 2.614 (3) Å and O—H...O = 171°] into C(7) chains, and these chains are linked by two two‐centre N—H...O hydrogen bonds [H...O = 1.86 and 1.92 Å, N...O = 2.700 (3) and 2.786 (3) Å, and N—H...O = 153 and 158°] and one three‐centre N—H...(O)2 hydrogen bond [H...O = 2.02 and 2.41 Å, N...O = 2.896 (3) and 2.789 (3) Å, N—H...O = 162 and 105°, and O...H...O = 92°], thus forming sheets containing R(6), R(8), R(13) and R(18) rings. 相似文献
19.
Maya Tutughamiarso Ernst Egert 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(11):o439-o445
In order to investigate the relative stability of N—H...O and N—H...S hydrogen bonds, we cocrystallized the antithyroid drug 6‐propyl‐2‐thiouracil with two complementary heterocycles. In the cocrystal pyrimidin‐2‐amine–6‐propyl‐2‐thiouracil (1/2), C4H5N3·2C7H10N2OS, (I), the `base pair' is connected by one N—H...S and one N—H...N hydrogen bond. Homodimers of 6‐propyl‐2‐thiouracil linked by two N—H...S hydrogen bonds are observed in the cocrystal N‐(6‐acetamidopyridin‐2‐yl)acetamide–6‐propyl‐2‐thiouracil (1/2), C9H11N3O2·2C7H10N2OS, (II). The crystal structure of 6‐propyl‐2‐thiouracil itself, C7H10N2OS, (III), is stabilized by pairwise N—H...O and N—H...S hydrogen bonds. In all three structures, N—H...S hydrogen bonds occur only within R22(8) patterns, whereas N—H...O hydrogen bonds tend to connect the homo‐ and heterodimers into extended networks. In agreement with related structures, the hydrogen‐bonding capability of C=O and C=S groups seems to be comparable. 相似文献
20.
Edwar Corts Rodrigo Abonía Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):617-621
In the title compound, C29H35ClN4O2, the bond lengths provide evidence for aromatic delocalization in the pyrazole ring but bond fixation in the fused imidazole ring, and the octyl chain is folded, rather than adopting an all‐trans chain‐extended conformation. A combination of N—H...N, C—H...N and C—H...O hydrogen bonds links the molecules into sheets, in which the hydrogen bonds occupy the central layer with the tert‐butyl and octyl groups arranged on either side, such that the closest contacts between adjacent sheets involve only the octyl groups. Comparisons are made with the supramolecular assembly in some simpler analogues. 相似文献