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1.
Zbigniew Ciunik Agata Biaoska 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o120-o122
In isomorphous crystals of brucinium 4‐nitrobenzoate methanol solvate, C23H27N2O4+·C7H4NO4−·CH3OH, and brucinium 4‐nitrobenzoate dihydrate, C23H27N2O4+·C7H4NO4−·2H2O, the brucinium cations form reverse corrugated layers, in which the amine N and amide O atoms of the brucinium cations are located in the grooves and at convex points of the layer surface, respectively. Similarly, as observed for the commonly occurring corrugated brucinium layers, the amide O atoms of the cations are involved in hydrogen bonds in which solvent molecules are the donors. 相似文献
2.
Zbigniew Ciunik Agata Biaoska 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o537-o539
In strychninium 4‐chlorobenzoate, C21H23N2O2+·C7H4ClO2−, (I), and strychninium 4‐nitrobenzoate, C21H23N2O2+·C7H4NO4−, (II), the strychninium cations form pillars stabilized by C—H⋯O and C—H⋯π hydrogen bonds. Channels between the pillars are occupied by anions linked to one another by C—H⋯π hydrogen bonds. The cations and anions are linked by ionic N—H+⋯O− and C—H⋯X hydrogen bonds, where X = O, π and Cl in (I), and O and π in (II). 相似文献
3.
Urs D. Wermuth Graham Smith Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o353-o357
The structures of two brucinium (2,3‐dimethoxy‐10‐oxostrychnidinium) salts of the α‐hydroxy acids l ‐malic acid and l ‐tartaric acid, namely brucinium hydrogen (S)‐malate pentahydrate, C23H27N2O4+·C4H5O5−·5H2O, (I), and anhydrous brucinium hydrogen (2R,3R)‐tartrate, C23H27N2O4+·C4H5O6−,(II), have been determined at 130 K. Compound (I) has two brucinium cations, two hydrogen malate anions and ten water molecules of solvation in the asymmetric unit, and forms an extensively hydrogen‐bonded three‐dimensional framework structure. In compound (II), the brucinium cations form the common undulating brucine sheet substructures, which accommodate parallel chains of head‐to‐tail hydrogen‐bonded tartrate anion species in the interstitial cavities. 相似文献
4.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o464-o468
In the crystal structures of the proton‐transfer compounds of strychnine with 3,5‐dinitrosalicylic acid, namely strychninium 3,5‐dinitrosalicylate, C21H23N2O2+·C7H3N2O7−, (I), and 5‐nitrosalicylic acid, namely strychninium–5‐nitrosalicylate–5‐nitrosalicylic acid (1/1/2), C21H23N2O2+·C7H4NO5−·2C7H5NO5, (II), protonation of one of the N atoms of the strychnine molecule occurs and this group is subsequently involved in intermolecular hydrogen‐bonding interactions. In (I), this is four‐centred, the primary being with an adjacent strychninium carbonyl O‐atom acceptor in a side‐to‐side interaction giving linear chains. Other interactions are with the phenolate and nitro O‐atom acceptors of the anionic species, resulting in a one‐dimensional polymer structure. In (II), the N+—H interaction is three‐centred, the hydrogen bonding involving carboxyl O‐atom acceptors of the anion and both acid adduct species, giving unique discrete hetero‐tetramer units. The structure of (II) also features π‐bonding interactions between the two acid adduct molecules. 相似文献
5.
Agata Biaoska Zbigniew Ciunik 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o182-o185
Comparison of the structures of strychninium N‐phthaloyl‐β‐alaninate N‐phthaloyl‐β‐alanine, C21H23N2O2+·C11H8NO4−·C11H9NO4, and brucinium N‐phthaloyl‐β‐alaninate 5.67‐hydrate, C23H27N2O4+·C11H8NO4−·5.67H2O, reveals that, unlike strychninium cations, brucinium cations display a tendency to produce stacking interactions with cocrystallizing guests. 相似文献
6.
Urs D. Wermuth Jonathan M. White Graham Smith 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o402-o404
The crystal structure of the proton‐transfer compound of 1,1′‐biphenyl‐4,4′‐diamine (benzidine) with 3,5‐dinitrosalicylic acid, viz. 1,1′‐biphenyl‐4,4′‐diaminium bis(4′‐amino‐1,1′‐biphenyl‐4‐aminium) tetrakis(2‐carboxy‐4,6‐dinitrophenolate) ethanol disolvate, C12H14N22+·2C12H13N2+·4C7H3N2O7−·2C2H6O, shows the presence of both diprotonated and monoprotonated benzidine cations. The diprotonated species lie across crystallographic inversion centres in the unit cell, while the monoprotonated species occupy general sites. All amine H atoms participate in hydrogen bonding with carboxyl, phenolate and nitro O‐atom acceptors of the salicylate anions, which also participate in hydrogen bonding with the disordered ethanol solvent molecules. Significant inter‐ring anion–anion and anion–monocation π–π interactions are also present, giving a three‐dimensional framework structure. 相似文献
7.
Genivaldo Julio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o165-o167
The crystal structure of the title compound, C4H12N+·C6H3N2O·H2O, is built up from tetramethylammonium cations, 2,5‐dinitrophenolate anions and water molecules. The nitro groups are almost coplanar with the aryl ring, which exhibits significant distortion from an ideal hexagonal form. The X‐ray geometry of the tetramethylammonium cation shows slight distortion from the tetrahedral symmetry predicted by molecular orbital calculations. The O—H⋯O hydrogen‐bonded water and 2,5‐dinitrophenolate units are related by an inversion center and form dimers. The 2,5‐dinitrophenolate anions, related by an inversion center and translation, are stacked to form a column along the [100] direction. 相似文献
8.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o621-o624
The structure of brucinium dihydrogen citrate trihydrate (systematic name: 2,3‐dimethoxy‐10‐oxostrychnidinium dihydrogen citrate trihydrate), C23H27N2O4+·C6H7O7−·3H2O, has been determined at 130 K. The crystallographic asymmetric unit comprises two brucinium cations, two dihydrogen citrate anions and six water molecules of solvation. The two citrate anions, which are conformationally dissimilar, associate through extensive hydrogen‐bonding interactions with the common undulating brucinium cation layer substructures and the water molecules, forming a three‐dimensional framework polymer. 相似文献
9.
Rahul Banerjee Binoy K. Saha Gautam R. Desiraju 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o346-o349
Hydrazinium saccharinate, N2H5+·C7H4NO3S−, crystallizes in a 1:1 ratio, while ethylenediaminium bis(saccharinate), C2H10N22+·2C7H4NO3S−, and butane‐1,4‐diaminium bis(saccharinate), C4H14N22+·2C7H4NO3S−, form in a 1:2 cation–anion stoichiometry. The structures contain many strong hydrogen bonds of the N+—H⋯N−, N+—H⋯O, N—H⋯O and N—H⋯N types, with auxiliary C—H⋯O interactions. 相似文献
10.
Jaromír Marek Dagmar Hulov Jií Dostl Radek Marek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o583-o585
The title compound [systematic name: 9,10‐dimethoxy‐2,3‐methylenedioxy‐5,6‐dihydrodibenzo[a,g]quinolizinium formate–succinic acid (1/1)], C20H18NO4+·CHO2−·C4H6O4, contains centrosymmetric pairs of almost planar berberine cations, and hydrogen‐bonded (C4H6O4⋯HCOO−)2 rings of succinic acid with formate anions, bonded by O—H⋯O hydrogen bonds with O⋯O distances of 2.4886 (15) and 2.5652 (16) Å. Pairs of cations and molecules of succinic acid are connected by non‐conventional weak C—H⋯O hydrogen bonds, with C⋯O distances of 3.082 (2) and 3.178 (2) Å. 相似文献
11.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o575-o581
The crystal structures of quinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate trihydrate, C9H8N+·C7H5O6S−·3H2O, (I), 8‐hydroxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C9H8NO+·C7H5O6S−·H2O, (II), 8‐aminoquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate dihydrate, C9H9N2+·C7H5O6S−·2H2O, (III), and 2‐carboxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate quinolinium‐2‐carboxylate, C10H8NO2+·C7H5O6S−·C10H7NO2, (IV), four proton‐transfer compounds of 5‐sulfosalicylic acid with bicyclic heteroaromatic Lewis bases, reveal in each the presence of variously hydrogen‐bonded polymers. In only one of these compounds, viz. (II), is the protonated quinolinium group involved in a direct primary N+—H⋯O(sulfonate) hydrogen‐bonding interaction, while in the other hydrates, viz. (I) and (III), the water molecules participate in the primary intermediate interaction. The quinaldic acid (quinoline‐2‐carboxylic acid) adduct, (IV), exhibits cation–cation and anion–adduct hydrogen bonding but no direct formal heteromolecular interaction other than a number of weak cation–anion and cation–adduct π–π stacking associations. In all other compounds, secondary interactions give rise to network polymer structures. 相似文献
12.
13.
T. Vijay T. Narasimhamurthy H. S. Yathirajan R. S. Rathore P. Nagaraja 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o36-o38
In the crystal structure of the title salt, C7H7Cl2N2O2+·Cl−, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple N+—H⋯Cl− salt bridges. There are two independent molecules in the asymmetric unit, related by a pseudo‐inversion center. The direct intermolecular coupling is established by C—H⋯O, C—H⋯Cl and C—Cl⋯Cl− interactions. A rare three‐center (donor bifurcated) C—H⋯(O,O) hydrogen bond is observed between the methylene and nitro groups, with a side‐on intramolecular component of closed‐ring type and a head‐on intermolecular component. 相似文献
14.
Krishnan Ravikumar Balasubramanian Sridhar 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o478-o482
Moxifloxacin, a novel fluoroquinolone with a broad spectrum of antibacterial activity, is available as the solvated monohydrochloride salt 7‐[(S,S)‐2‐aza‐8‐azoniabicyclo[4.3.0]non‐8‐yl]‐1‐cyclopropyl‐6‐fluoro‐8‐methoxy‐4‐oxo‐1,4‐dihydroquinoline‐3‐carboxylic acid chloride–water–methanol (2/1/1), C21H25FN3O4+·Cl−·0.5H2O·0.5CH3OH. The asymmetric unit contains two cations, two chloride ions, a molecule of water and one methanol molecule. The two cations adopt conformations that differ by an almost 180° rotation with respect to the piperidinopyrrolidine side chain. The cyclopropyl ring and the methoxy group are not coplanar with the quinoline ring system. The carboxylic acid function, the protonated terminal piperidyl N atom, the water molecule, the chloride ion and the methanol molecule participate in O—H⋯O, O—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonding, linking the molecules into extended two‐dimensional networks. 相似文献
15.
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
16.
K. Anitha S. Athimoolam S. Natarajan 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o567-o570
In the structure of l ‐prolinium picrate, C5H10NO2+·C6H2N3O7−, the Cγ atom of the pyrrolidine ring has conformational disorder. Both the major and minor conformers of the pyrrolidine ring adopt conformations intermediate between a half‐chair and an envelope. Both the cation and anion are packed through chelated three‐centred N—H⋯O hydrogen bonds. The prolinium cation connects two different picrate anions, leading to an infinite chain running along the b axis. In 2‐methylpyridinium picrate, C6H8N+·C6H2N3O7−, the cations and anions are packed separately along the a axis and are interconnected by N—H⋯O hydrogen bonds. Intramolecular contacts between phenolate O atoms and adjacent nitro groups are identified in both structures. A graph‐set motif of R12(6) is observed in both structures. 相似文献
17.
T. V. Sundar V. Parthasarathi K. Sarkunam M. Nallu B. Walfort H. Lang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o464-o466
The title compounds, C15H16ClN2O+·Br−·1.5H2O and C15H16BrN2O+·Br−·1.5H2O, are isomorphous. The benzene ring is oriented nearly normal to the pyridine ring in both compounds. The molecular packing is mainly influenced by intermolecular O—H⋯O and O—H⋯Br interactions, as well as weak intramolecular C—H⋯O interactions. The H2OBr− units form an extended water–bromide chain, with a bridging water molecule on a twofold axis. 相似文献
18.
Dubravka Matkovi‐alogovi Erim Bei Mladen Biru Mario Gabri
evi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o694-o695
The title compound, N‐hydroxy‐2‐(trimethylammonio)acetamide chloride, C5H13N2O2+·Cl−, has been synthesized and structurally characterized. The structure consists of betainohydroxamic acid cations and Cl− anions linked by N—H⋯Cl and O—H⋯Cl hydrogen bonds into chains along [001]. It was found that the positive inductive effect of the charged N atom in close proximity to the hydroxamate carbonyl O atom has a negligible effect on the hydroxamic C—N bond length. 相似文献
19.
Vladimir N. Nesterov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o806-o809
In the title compound 3,5‐bis(4‐methoxybenzylidene)‐1‐methyl‐4‐piperidone, C22H23NO3, (I), the central heterocyclic ring adopts a flattened boat conformation, while in the related salt 3,5‐bis(4‐methoxybenzylidene)‐1‐methyl‐4‐oxopiperidinium chloride, C22H24NO3+·Cl−, (II), the ring exhibits a `sofa' conformation in which the N atom deviates from the planar fragment. The pendant benzene rings are twisted from the heterocyclic ring planes in both molecules in the same direction, the range of dihedral angles between the ring planes being 24.5 (2)–32.7 (2)°. The dominant packing motif in (I) involves centrosymmetric dimers bound by weak intermolecular C—H⋯O hydrogen bonds. In (II), cations and anions are linked by strong N—H⋯Cl hydrogen bonds, while weak C—H⋯O and C—H⋯Cl hydrogen bonds link the cations and anions into a three‐dimensional framework. 相似文献
20.
Chan Soo Choi Ramaiyer Venkatraman Eun Hee Kim Hae Sook Hwang Sung Kwon Kang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o295-o296
Crystals of 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium levulinate (4‐oxopentanoate) monohydrate, C3H7N6+·C5H7O3−·H2O, are formed via self‐assembled hydrogen bonding by cocrystallization of melamine and levulinic acid. Two N—H⋯N hydrogen bonds and four N—H⋯O hydrogen bonds connect two melaminium entities such that each of two pairs of N—H⋯O bonds bridges two H atoms belonging to the amine groups of two different melaminium cations via the carbonyl O atom of one levulinate molecule. 相似文献