共查询到20条相似文献,搜索用时 46 毫秒
1.
Alexander Briceo Reinaldo Atencio Raquel Gil Alejandra Nobrega 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):o441-o444
The structure of trans‐3‐(3‐pyridyl)acrylic acid, C8H7NO2, (I), possesses a two‐dimensional hydrogen‐bonded array of supramolecular ribbons assembled via heterodimeric synthons between the pyridine and carboxyl groups. This compound is photoreactive in the solid state as a result of close contacts between the double bonds of neighbouring molecules [3.821 (1) Å] along the a axis. The crystal structure of the photoproduct, rctt‐3,3′‐(3,4‐dicarboxycyclobutane‐1,2‐diyl)dipyridinium dichloride, C16H16N2O42+·2Cl−, (II), consists of a three‐dimensional hydrogen‐bonded network built from crosslinking of helical chains integrated by self‐assembly of dipyridinium cations and Cl− anions via different O—H...Cl, C—H...Cl and N+—H...Cl hydrogen‐bond interactions. 相似文献
2.
Linheng Wei Ziliang Wang Xianggao Meng 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(9):o453-o456
Cocrystallization of imidazole or 4‐methylimidazole with 2,2′‐dithiodibenzoic acid from methanol solution yields the title 2:1 and 1:1 organic salts, 2C3H5N2+·C14H10O4S22−, (I), and C4H7N2+·C14H10O4S2−, (II), respectively. Compound (I) crystallizes in the monoclinic C2/c space group with the mid‐point of the S—S bond lying on a twofold axis. The component ions in (I) are linked by intermolecular N—H...O hydrogen bonds to form a two‐dimensional network, which is further linked by C—H...O hydrogen bonds into a three‐dimensional network. In contrast, by means of N—H...O, N—H...S and O—H...O hydrogen bonds, the component ions in (II) are linked into a tape and adjacent tapes are further linked by π–π, C—H...O and C—H...π interactions, resulting in a three‐dimensional network. 相似文献
3.
Ivn Brito Aldo Mundaca Alejandro Crdenas Matías Lpez‐Rodríguez 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):o117-o118
In the title compound, C10H6N4O4S2, (I), the molecule has a centre of inversion. The structure is a positional isomer of 5,5′‐dinitro‐2,2′‐dithiodipyridine [Brito, Mundaca, Cárdenas, López‐Rodríguez & Vargas (2007). Acta Cryst. E 63 , o3351–o3352], (II). The 3‐nitropyridine fragment of (I) shows excellent agreement with the bonding geometries of (II). The most obvious differences between them are in the S—S bond length [2.1167 (12) Å in (I) and 2.0719 (11) Å in (II)], and in the C—Cipso—Nring [119.8 (2)° in (I) and 123.9 (3)° in (II)] and S—C—C [122.62 (18)° in (I) and 116.0 (2)° in (II)] angles. The crystal structure of (I) has an intramolecular C—H...O interaction, with an H...O distance of 2.40 (3) Å, whereas this kind of interaction is not evident in (II). The molecules of (I) are linked into centrosymmetric R44(30) motifs by a C—H...O interaction. There are no aromatic π–π stacking and no C—H...π(arene) interactions. Compound (I) can be used as a nucleophilic tecton in self‐assembly reactions with metal centres of varying lability. 相似文献
4.
P. R. Seshadri D. Velmurugan J. Govindaraj S. Kannadasan P. C. Srinivasan S. Shanmuga Sundara Raj H.‐K. Fun M. J. Kim 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o700-o703
The title compounds, C20H25N2O2S+·I?, (I), and C29H25BrN2O2S, (II), respectively, both crystallize in space group P. The pyrrole ring subtends an angle with the sulfonyl group of 33.6° in (I) and 21.5° in (II). The phenyl ring of the sulfonyl substituent makes a dihedral angle with the best plane of the indole moiety of 81.6° in (I) and 67.2° in (II). The lengthening or shortening of the C—N bond distances in both compounds is due to the electron‐withdrawing character of the phenylsulfonyl group. The S atoms are in distorted tetrahedral configurations. The molecular structures are stabilized by C—H?O and C—H?I interactions in (I), and by C—H?O and C—H?N interactions in (II). 相似文献
5.
Shigeru Ohba Noriaki Gomi Tadaaki Ohgiya Kimiyuki Shibuya 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):o427-o430
In 4‐fluoroisoquinoline‐5‐sulfonyl chloride, C9H5ClFNO2S, (I), one of the two sulfonyl O atoms lies approximately on the isoquinoline plane as a result of minimizing the steric repulsion between the chlorosulfonyl group and the neighbouring F atom. In (S)‐(−)‐4‐fluoro‐N‐(1‐hydroxypropan‐2‐yl)isoquinoline‐5‐sulfonamide, C12H13FN2O3S, (II), there are two crystallographically independent molecules (Z′ = 2). The molecular conformations of these two molecules differ in that the amine group of one forms an intramolecular bifurcated hydrogen bond with the F and OH groups, whilst the other forms only a single intramolecular N—H...F hydrogen bond. The N—H...F hydrogen bonds correspond to weak coupling between the N(H) and 19F nuclei, observed in the 1H NMR solution‐state spectra. In (S)‐(−)‐4‐[(4‐fluoroisoquinolin‐5‐yl)sulfonyl]‐3‐methyl‐1,4‐diazepan‐1‐ium chloride, C15H19FN3O2S+·Cl−, (III), the isoquinoline plane is slightly deformed, suggestive of a steric effect induced by the bulky substituent on the sulfonyl group. 相似文献
6.
Petra Bombicz Birger Dittrich Marianna Strumpel Hans‐Peter Nabein Peter Luger 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1447-1449
The structure of glycyl‐dl ‐leucine, C8H16N2O3, has been determined at 120 K by single‐crystal X‐ray diffraction. In addition to three N—H?O‐type hydrogen bonds of the positively charged RNH3+ group of the zwitterionic molecule, an intermolecular N—H?O contact exists between the peptide bond and the carboxylate group. Four hydrogen‐bond cycles were identified, giving a complex pattern. 相似文献
7.
Frank Seela Anup M. Jawalekar Simone Budow Henning Eickmeier 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o562-o564
In the title compound, 4‐amino‐1‐(2‐deoxy‐β‐d ‐erythro‐pentofuranosyl)‐6‐methylsulfanyl‐1H‐pyrazolo[3,4‐d]pyrimidine, C11H16N5O3S, the conformation of the glycosidic bond is between anti and high anti. The 2′‐deoxyribofuranosyl moiety adopts the C3′‐exo–C4′‐endo conformation (3T4, S‐type sugar pucker), and the conformation at the exocyclic C—C bond is +sc (+gauche). The exocyclic 6‐amine group and the 2‐methylsulfanyl group lie on different sides of the heterocyclic ring system. The molecules form a three‐dimensional hydrogen‐bonded network that is stabilized by O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds. 相似文献
8.
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
9.
Julio Gutierrez Rodney Eisenberg Gabrielle Herrensmith Thomas Tobin Tonglei Li Sihui Long 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):o593-o595
Details of the structures of two conformational polymorphs of the title compound, C12H17N2OS+·Cl−, are reported. In form (I) (space group P), the two N—H groups of the cation are in a trans conformation, while in form (II) (space group P21/c), they are in a cis arrangement. This results in different packing and hydrogen‐bond arrangements in the two forms, both of which have extended chains lying along the a direction. In form (I), these chains are composed of centrosymmetric R42(18) (N—H...Cl and O—H...Cl) hydrogen‐bonded rings and R22(18) (N—H...O) hydrogen‐bonded rings. In form (II), the chains are formed by centrosymmetric R42(18) (N—H...Cl and O—H...Cl) hydrogen‐bonded rings and by R42(12) (N—H...Cl) hydrogen‐bonded rings. 相似文献
10.
Nobuo Okabe Michihiro Tsujita 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1418-1419
In the title compound, [Li(C5H3N4O2)(H2O)2]n, the coordinate geometry about the Li+ ion is distorted tetrahedral and the Li+ ion is bonded to N and O atoms of adjacent ligand molecules forming an infinite polymeric chain with Li—O and Li—N bond lengths of 1.901 (5) and 2.043 (6) Å, respectively. Tetrahedral coordination at the Li+ ion is completed by two cis water molecules [Li—O 1.985 (6) and 1.946 (6) Å]. The crystal structure is stabilized both by the polymeric structure and by a hydrogen‐bond network involving N—H?O, O—H?O and O—H?N hydrogen bonds. 相似文献
11.
Cinzia Bellucci Renzo Cini 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1039-1040
The title compound, trans‐[RuIICl2(N1‐mepym)4] (mepym is 4‐methylpyrimidine, C5H6N2), obtained from the reaction of trans,cis,cis‐[RuIICl2(N1‐mepym)2(SbPh3)2] (Ph is phenyl) with excess mepym in ethanol, has fourfold crystallographic symmetry and has the four pyrimidine bases coordinated through N1 and arranged in a propeller‐like orientation. The Ru—N and Ru—Cl bond distances are 2.082 (2) and 2.400 (4) Å, respectively. The methyl group, and the N3 and Cl atoms are involved in intermolecular C—H?N and C—H?Cl hydrogen‐bond interactions. 相似文献
12.
Zhenfeng Zhang Dong Xian Jianping Li Guisheng Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):o191-o194
In 1‐(4‐chloroanilinomethyl)‐5‐(4‐chlorophenyl)‐1,3,5‐triazinane‐2‐thione, C16H16Cl2N4S, there are two independent molecules in the asymmetric unit which form inversion dimers via two weak N—H...S hydrogen bonds. The dimers are then linked into C(9)C(14) chains by a C—H...S hydrogen bond and a C—H...Cl contact. In 1‐(anilinomethyl)‐5‐phenyl‐1,3,5‐triazinane‐2‐thione, C16H18N4S, molecules are linked into complex sheets via a combination of N—H...S and C—H...π hydrogen bonds. 相似文献
13.
Govindaiah Darshan Deepak Chopra Janardhanan Saravanan 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):o571-o574
The title isomers, viz. the N‐(3‐methylphenyl)‐, (I), and N‐(2‐methylphenyl)‐, (II), derivatives, both C26H28N2O4S, adopt an E configuration that places the thiophene and trimethoxyphenyl groups on opposite sides of the C=N double bond, providing a suitable orientation for formation of an intramolecular N—H...N hydrogen bond. However, while the molecule in (I) is close to being planar, the N‐methylphenyl group in (II) is twisted significantly from the plane of the remainder of the molecule. Both crystal structures are essentially layered and there are no intermolecular N—H...O hydrogen bonds. Compound (I) has a significantly higher calculated density than (II) (1.340 cf 1.305 Mg m−3), indicating that the molecular packing in the meta isomer is overall more efficient than that in the ortho isomer. 相似文献
14.
Miguel Angel Harvey Sergio Baggio María Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(9):o489-o492
The title compound, 2C14H13N2+·S2O82−·2H2O, is a protonated amine salt which is formed from two rather uncommon ionic species, namely a peroxodisulfate (pds2−) anion, which lies across a crystallographic inversion centre, and a 2,9‐dimethyl‐1,10‐phenanthrolin‐1‐ium (Hdmph+) cation lying in a general position. Each pds2− anion binds to two water molecules through strong water–peroxo O—H...O interactions, giving rise to an unprecedented planar network of hydrogen‐bonded macrocycles which run parallel to (100). The atoms of the large R88(30) rings are provided by four water molecules bridging in fully extended form (...H—O—H...) and four pds2− anions alternately acting as long (...O—S—O—O—S—O...) and short (...O—S—O...) bridges. The Hdmph+ cations, in turn, bind to these units through hydrogen bonds involving their protonated N atoms. In addition, the crystal structure also contains π–π and aromatic–peroxo C—H...O interactions. 相似文献
15.
Wei Yang Qiang Fu Jing Zhao Huan‐Ren Cheng Yao‐Cheng Shi 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):528-532
The title compounds with terminal N‐heterocyclic carbenes, namely octacarbonyl(imidazolidinylidene‐κC2)di‐μ3‐sulfido‐triiron(II)(2 Fe—Fe), [Fe3(C3H6N2)(μ3‐S)2(CO)8], (I), and octacarbonyl(1‐methylimidazo[1,5‐a]pyridin‐3‐ylidene‐κC3)di‐μ3‐sulfido‐triiron(II)(2 Fe—Fe), [Fe3(C8H8N2)(μ3‐S)2(CO)8], (II), have been synthesized. Each compound contains two Fe—Fe bonds and two S atoms above and below a triiron triangle. One of the eight carbonyl ligands deviates significantly from linearity. In (I), dimers generated by an N—H...S hydrogen bond are linked into [001] double chains by a second N—H...S hydrogen bond. These chains are packed by a C—H...O hydrogen bond to yield [101] sheets. In (II), dimers generated by an N—H...S hydrogen bond are linked by C—H...O hydrogen bonds to form [111] double chains. 相似文献
16.
Madhukar Hemamalini Packianathan Thomas Muthiah Gabriele Bocelli Andrea Cantoni 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o284-o286
In the title compound, C10H9N2+·C9H5INO4S−·2H2O, the 4,4′‐bipyridine molecule is protonated at one of the pyridine N atoms. These moieties self‐assemble into a supramolecular chain along the a axis through N—H⋯N hydrogen bonds. The quinolinol OH group acts as a donor with respect to a sulfonate O atom [O—H⋯O(sulfonate)] and acts as an acceptor with respect to a C—H group of ferron [C—H⋯O(hydroxy)], forming a supramolecular chain along the b axis. These two types of supramolecular chains (one type made up of bipyridine motifs and the other made up of sulfoxine motifs) interact viaπ–π stacking, generating a three‐dimensional framework. These chains are further crosslinked by C—H⋯O hydrogen bonds and O—H⋯O hydrogen bonds involving water molecules. 相似文献
17.
Ilia A. Guzei Frankline K. Keter Lara C. Spencer James Darkwa 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):o481-o483
Five distinct strong hydrogen‐bonding interactions of four kinds (N—H...Cl, N—H...O, O—H...N, and O—H...Cl) connect molecules of the title compound, C9H18N3+·Cl−·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The intermolecular interactions are efficiently described in terms of the first‐ through fifth‐level graph sets. A two‐dimensional constructor graph helps visualize the supramolecular assembly. 相似文献
18.
Thomas Gelbrich Terence L. Threlfall Michael B. Hursthouse 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o470-o472
The title compound anilinium chloride–4‐bromo‐N‐phenylbenzenesulfonamide (1/1), C6H8N+·Cl−·C12H10BrNO2S, displays a hydrogen‐bonded ladder motif with four independent N—H⋯Cl bonds in which both the NH group of the sulfonamide molecule and the NH3 group of the anilinium ion [N⋯Cl = 3.135 (3)–3.196 (2) Å and N—H⋯Cl = 151–167°] are involved. This hydrogen‐bonded chain contains two independent R42(8) rings and each chloride ion acts as an acceptor of four hydrogen bonds. 相似文献
19.
Madhukar Hemamalini Packianathan Thomas Muthiah Urszula Rychlewska Agnieszka Plutecka 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o95-o97
In the title compound, C6H10N3+·HSO4−, the asymmetric unit consists of a hydrogen sulfate anion and a 2‐amino‐4,6‐dimethylpyrimidinium cation. The hydrogen sulfate anions self‐assemble through O—H⋯O hydrogen bonds, forming supramolecular chains along the b axis, while the organic cations form base pairs via N—H⋯N hydrogen bonds. The aminopyrimidinium cations join to the sulfate anions via a pair of hydrogen bonds donated from the pyrimidinium protonation site and from the exo amine group cis to the protonated site. 相似文献
20.
Yongjun Zhang Weixiao Cao 《Journal of polymer science. Part A, Polymer chemistry》2000,38(14):2566-2571
A novel photosensitive ternary complex formed from phenol‐formaldehyde resin (PR), sodium dodecyl sulfate (SDS), and diazo resin (DR) was developed. In the presence of SDS, PR remains soluble in water when its solution is neutralized. The PR‐SDS‐DR ternary complex forms when DR is added to the PR‐SDS solution. The ternary complex dissolves in polar solvents such as dimethylformamide and is sensitive toward UV light or heating. It was confirmed that the ionic bond of SO +N2 between SDS and DR converts to a covalent bond after the decomposition of the +N2 group under UV irradiation or heating. As a result, the solubility of PR‐SDS‐DR changes dramatically; that is, after treatment with UV light or heating, PR‐SDS‐DR becomes insoluble in polar solvents. © 2000 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 38: 2566–2571, 2000 相似文献