共查询到20条相似文献,搜索用时 31 毫秒
1.
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
2.
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
3.
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
4.
Jorge Trilleras Jairo Quiroga Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(6):o284-o286
In the title compound, C12H9N3O2S, the thienyl substituent is disordered over two sets of sites with occupancies of 0.749 (3) and 0.251 (3). A combination of N—H...O, C—H...O and C—H...π hydrogen bonds links the molecules into bilayers and these bilayers are themselves linked into a continuous structure by π–π stacking interactions. 相似文献
5.
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
6.
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
7.
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
8.
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
9.
Juan Ramírez Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):536-540
In the title compound, C16H11Cl3N6S·C3H7NO, the seven‐membered ring adopts a conformation which is close to the twist‐boat form. The molecular components are linked into sheets by a combination of two N—H...N hydrogen bonds and two C—H...O hydrogen bonds. Comparisons are made with other aminopyrimidine derivatives. 相似文献
10.
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
11.
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
12.
The title salts, 4‐chloroanilinium hydrogen phthalate (PCAHP), C6H7ClN+·C8H5O4−, 2‐hydroxyanilinium hydrogen phthalate (2HAHP), C6H8NO+·C8H5O4−, and 3‐hydroxyanilinium hydrogen phthalate (3HAHP), C6H8NO+·C8H5O4−, all crystallize in the space group P21/c. The asymmetric unit of 2HAHP contains two independent ion pairs. The hydrogen phthalate ions of 2HAHP and 3HAHP show a short intramolecular O—H...O hydrogen bond, with O...O distances ranging from 2.3832 (15) to 2.3860 (14) Å. N—H...O and O—H...O hydrogen bonds, together with short C—H...O contacts in PCAHP and 3HAHP, generate extended hydrogen‐bond networks. PCAHP forms a two‐dimensional supramolecular sheet extending in the (100) plane, whereas 2HAHP has a supramolecular chain running parallel to the [100] direction and 3HAHP has a two‐dimensional network extending parallel to the (001) plane. 相似文献
13.
Jairo Quiroga Jaime Portilla John N. Low Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):o76-o79
The molecules of 5‐amino‐1‐(4‐methoxybenzoyl)‐3‐methylpyrazole, C12H13N3O2, (I), and 5‐amino‐3‐methyl‐1‐(2‐nitrobenzoyl)pyrazole, C11H10N4O3, (II), both contain intramolecular N—H...O hydrogen bonds. The molecules of (I) are linked into a chain of rings by a combination of N—H...N and N—H...π(arene) hydrogen bonds, while those of (II) are linked into a three‐dimensional framework structure by N—H...N and C—H...O hydrogen bonds. 相似文献
14.
Ricaurte Rodríguez Justo Cobo Manuel Nogueras John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):o697-o700
The molecular dimensions of both 2‐amino‐6‐(N‐methylanilino)pyrimidin‐4(3H)‐one, C11H12N4O, (I), and 2‐amino‐6‐(N‐methylanilino)‐5‐nitropyrimidin‐4(3H)‐one, C11H11N5O3, (II), are consistent with considerable polarization of the molecular–electronic structures. The molecules of (I) are linked into a three‐dimensional framework by a combination of one N—H...N hydrogen bond, two independent N—H...O hydrogen bonds and one C—H...π(arene) hydrogen bond. The molecules of (II) are linked into ribbons containing three types of edge‐fused ring by the combination of two independent three‐centre N—H...(O)2 hydrogen bonds. 相似文献
15.
Luis Alvarez‐Thon Carlos Bustos Katherina Espinoza‐Santibaez Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(10):1200-1204
The title compound, C17H11F5N4O, is described and compared with two closely related analogues in the literature. There are two independent molecules in the asymmetric unit, linked by N—H...O hydrogen bonds and π–π interactions into dimeric entities, presenting a noticeable noncrystallographic C2 symmetry. These dimers are in turn linked by a medium‐strength type‐I C—F...F—C interaction into elongated tetramers. Much weaker C—H...F contacts link the tetramers into broad two‐dimensional substructures parallel to (101). 相似文献
16.
R. Vishnupriya J. Suresh S. Sivakumar R. Ranjith Kumar 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(6):642-646
The three pyran structures 6‐methylamino‐5‐nitro‐2,4‐diphenyl‐4H‐pyran‐3‐carbonitrile, C19H15N3O3, (I), 4‐(3‐fluorophenyl)‐6‐methylamino‐5‐nitro‐2‐phenyl‐4H‐pyran‐3‐carbonitrile, C19H14FN3O3, (II), and 4‐(4‐chlorophenyl)‐6‐methylamino‐5‐nitro‐2‐phenyl‐4H‐pyran‐3‐carbonitrile, C19H14ClN3O3, (III), differ in the nature of the aryl group at the 4‐position. The heterocyclic ring in all three structures adopts a flattened boat conformation. The dihedral angle between the pseudo‐axial phenyl substituent and the flat part of the pyran ring is 89.97 (1)° in (I), 80.11 (1)° in (II) and 87.77 (1)° in (III). In all three crystal structures, a strong intramolecular N—H...O hydrogen bond links the flat conjugated H—N—C=C—N—O fragment into a six‐membered ring. In (II), molecules are linked into dimeric aggregates by N—H... O(nitro) hydrogen bonds, generating an R22(12) graph‐set motif. In (III), intermolecular N—H...N and C—H...N hydrogen bonds link the molecules into a linear chain pattern generating C(8) and C(9) graph‐set motifs, respectively. 相似文献
17.
Viktor Vrbel Július Sivý Peter af tefan Marchalín 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(8):817-822
Molecules of (S)‐6‐oxo‐1‐(thiophen‐2‐ylmethyl)piperidine‐2‐carboxylic acid, C11H13NO3S, crystallize as single enantiomers in the space group P21 and the thiophene ring is disordered over two positions, while (S)‐6‐oxo‐1‐(thiophen‐3‐ylmethyl)piperidine‐2‐carboxylic acid, C11H13NO3S, crystallizes as a single enantiomer in the space group P212121. Their absolute configurations were confirmed by anomalous dispersion effects in diffraction measurements on the crystals. The molecules of each compound are linked by a combination of strong O—H...O hydrogen bonds and weak C—H...O interactions, resulting in two‐ and three‐dimensional networks, respectively, in the crystal structures. 相似文献
18.
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
19.
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