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1.
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
2.
Günseli Turgut Metin Zora Mustafa Odabaolu Cem Cüneyt Ersanl Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o321-o323
The crystal structure of the title compound, C2H10N2O2+·2Cl−, is built up from one 2‐hydroxyethylhydrazinium(2+) cation and two Cl− anions. The molecular structure is stabilized by O—H⋯Cl and N—H⋯Cl hydrogen bonds. The crystal structure is stabilized by one N—H⋯O and three N—H⋯Cl interactions, and the three‐dimensional network of hydrogen bonds stabilizes the crystal packing. All five hydrazinium H atoms are involved in hydrogen bonds to Cl− anions. The Cl⋯H contact distances range from 2.122 (15) to 2.809 (14) Å. 相似文献
3.
Hasan Karabyk Bilgehan Güzel Muhittin Aygün Gülnaz Boa Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o215-o218
The title Schiff base compound, C28H26N2O2, possesses both OH and NH tautomeric character in its molecular structure. While the OH side of the compound is described as an intermediate state, its NH side adopts a predominantly zwitterionic form. The molecular structure of the compound is stabilized by both N+—H⋯O− and O—H⋯N intramolecular hydrogen bonds. There are two weak C—H⋯O hydrogen bonds leading to polymeric chains of topology C(5) and C(13) running along the b axis of the unit cell. In addition, intermolecular C—H⋯π interactions serve to stabilize the extended structure. 相似文献
4.
Tsonko Kolev Michael Spiteller William S. Sheldrick Heike Mayer‐Figge 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o299-o300
Cations and anions of the title compound {systematic name: 1‐[4‐(aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)}, C6H17N5O2+·2C4HO4−, are connected into a three‐dimensional network by intermolecular N—H⋯O hydrogen bonds between the l ‐argininamidium ammonium, amide and guanidinium functions and the hydrogensquarate carbonyl O atoms. The independent hydrogensquarate monoanions are linked into dimers by pairs of O—H⋯O′ hydrogen bonds. 相似文献
5.
Gnana Sutha Siluvai Babu Varghese Narasimha N. Murthy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o380-o382
In the title salt, 1,3‐bis{[2‐(2‐pyridinio)ethyl][2‐(2‐pyridyl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4−·2H2O, the cation contains two ethylpyridyl and two ethylpyridinium pendant pairs anchored to the two N atoms of 1,3‐phenylenediamine. The pyridyl and pyridinium N atoms are flanked by a molecule of water through strong hydrogen‐bonding interactions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water molecules have weak hydrogen‐bonding interactions with the perchlorate anions as well. One of the perchlorate anions is severely disordered. 相似文献
6.
Muharrem Diner Namk
zdemir Emin Sarpnar Lalehan Kulak Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):o722-o724
In the asymmetric unit of the title compound, C10H15N4O2+·H2PO4−, there are two protonated aminoguanidinium cations and two dihydrogenphosphate anions. The positive charge on the protonated amidine group is delocalized over the three C—N bonds in a manner similar to that found in guanidinium salts. The aminoguanidinium cations are found to be the E‐isomer structures. Intramolecular interactions of the N—H⋯N type are observed, leading to the formation of five‐membered rings. Extensive networks of O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds stabilize the three‐dimensional network. In the crystal structure, π–π interactions between the benzene rings, with a distance of 3.778 (2) Å between the ring centroids, also affect the packing of the molecules. 相似文献
7.
Sheng‐Run Zheng Yue‐Peng Cai Xue‐Li Zhang Cheng‐Yong Su 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o642-o644
The title compound, C16H16N5+·Cl− (nbbH+·Cl−), displays N—H⋯N, N—H⋯Cl and π–π interactions in the crystal packing. The Cl− anion is chelated by the nbbH+ cation via two N—H⋯Cl hydrogen bonds. Inter‐ion N—H⋯N and N—H⋯Cl hydrogen bonds link ions related by 21 screw axes into chains along the c axis. These chains are further linked by glide‐plane operations to generate a three‐dimensional network, which is additionally stabilized by interchain π–π interactions. 相似文献
8.
Richard J. Bowen Manuel A. Fernandes Patricia W. Gitari Marcus Layh 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o113-o114
In the crystal structure of 2,2′‐bipyridinium(1+) bromide monohydrate, C10H9N2+·Br−·H2O, the cation has a cisoid conformation with an intramolecular N—H⋯N hydrogen bond. The cation also forms an N—H⋯O hydrogen bond to an adjacent water molecule, which in turn forms O—H⋯Br− hydrogen bonds to adjacent Br− anions. In this way, a chain is formed extending along the b axis. Additional interactions (C—H⋯Br− and π–π) serve to stabilize the structure further. 相似文献
9.
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
10.
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
11.
Fang‐Jun Huo Cai‐Xia Yin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o500-o502
In the title compound, (5‐oxo‐3a,6a‐diphenylperhydroimidazo[4,5‐d]imidazol‐2‐ylidene)oxonium hydrogen sulfate, C16H15N4O2+·HSO4−, the asymmetric unit contains a hydrogen sulfate anion and a 3a,6a‐diphenylglycoluril oxonium cation. The hydrogen sulfate anion is joined to the oxonium cation via a strong O—H⋯O hydrogen bond (H⋯O = 1.69 Å). The crystal packing is mainly dominated by interactions involving the hydrogen sulfate anion. The diphenylglycoluril oxonium cations also self‐assemble through N—H⋯O hydrogen bonds, forming molecular chains along the [001] vector. Four intramolecular C—H⋯N hydrogen bonds are observed, having an S(5) motif. 相似文献
12.
Bin Liu Jing‐Wen Chen Xiao‐Qing Chen Yi‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m42-m44
The asymmetric unit of the title compound, [Ni2(C25H31N4O3)(C2H3O2)2]PF6·0.5H2O, consists of two dinuclear nickel cations, two hexafluorophosphate anions and one water molecule of crystallization. Within each cation, the Ni atoms are bridged by two exogenous acetate groups and an endogenous cresol O atom of a phenolate‐based `end‐off' compartmental ligand that possesses two pendant chelating arms attached to the ortho positions of the phenol ring. Each Ni atom is six‐coordinate with a slightly distorted octahedral geometry. The two symmetry‐independent cations are linked into a dimeric unit through O—H⋯O hydrogen bonds. Additional O—H⋯O, C—H⋯F and C—H⋯O intermolecular interactions link all of the units in the structure into a three‐dimensional framework. 相似文献
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.
Daron E. Janzen Paul C. Ewbank Kent R. Mann 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o631-o633
In the crystal structure of the title compound, C8H18N22+·2I−·CH3CN, the dication lies on a mirror plane containing the molecular dication threefold axis. The structure displays C—H⋯I interactions between H atoms of the 1,4‐dimethyl‐1,4‐diazoniabicyclo[2.2.2]octane dication and the iodide anions. The H⋯I distances are in the range 2.96–3.18 (4) Å. The dications pack forming channels along the b axis, which contain the iodide anions and acetonitrile solvent molecules. 相似文献
15.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献
16.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o117-o119
Crystals of l ‐leucinium perchlorate, C6H14NO2+·ClO4−, are built up from protonated l ‐leucinium cations and perchlorate anions. l ‐Leucinium cations related by a twofold screw axis are interconnected by N—H⋯O hydrogen bonds into zigzag chains parallel to [010]. The O atoms of the perchlorate anions act as acceptors of hydrogen bonds that link the l ‐leucinium chains into separated but interacting two‐dimensional layers parallel to (001). Since the title compound crystallizes in a non‐centrosymmetric space group, it can be useful as a material for non‐linear optics. The efficiency of second harmonic generation is about twice that of K2[HPO4]. 相似文献
17.
Kari Ahonen Arto Valkonen Erkki Kolehmainen 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m290-m292
The title salt, (C5H5N4S)2[ZnCl4], consists of two 6‐thioxo‐1,6‐dihydropurinium (6mpH2+) cations (A and B) and a tetrachlorozincate anion, which are held together by N—H⋯Cl and C—H⋯Cl interactions. There is an anion–π interaction between one Cl atom of the [ZnCl4]− anion and the pyrimidine ring of the 6mpH2+(B) cation. Intermolecular π–π stacking interactions allow 6mpH2+(A) cations to form antiparallel pairs. One interesting structural feature is the double N—H⋯N intermolecular hydrogen bonds between two 6mpH2+(A) cations. This kind of interaction, mimicking that of natural nucleobases, can be very valuable in designing new therapeutic purine derivatives. 相似文献
18.
Rawhi Al‐Far Basem Fares Ali 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m137-m139
In the title compound, (C7H9Br2N2)2[SnBr6], the cations and centrosymmetric anions are stacked in alternating layers that show no significant intermolecular interactions within each stack. Extensive cation⋯[SnBr6]2− interactions are found, represented by short Br⋯Br interactions, along with different Br⋯HN (pyridine and amine) and weaker Br⋯HCH2 hydrogen‐bonding motifs. 相似文献
19.
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
20.
Ulrich Flrke Sonja Herres‐Pawlis Andreas Heuwing Adam Neuba Oliver Seewald Gerald Henkel 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m234-m237
Subject to packing with different anions, the title cation undergoes various conformational changes with significantly different N—C—C—C torsion angles, as well as different angles between the NCN2 guanidine planes. The 2,2‐(propane‐1,3‐diyl)bis(1,1,3,3‐tetramethylguanidinium) salts reported here, viz. the dibromide, C13H32N62+·2Br−, the tetraphenylborate chloride, C13H32N62+·C24H20B−·Cl−, the tetrachloromercurate, (C13H32N6)[HgCl4], and the bis(trifluoromethanesulfonate), C13H32N62+·2CF3SO3−, are dominated by strong intermolecular N—H⋯X hydrogen bonds, which form different packing patterns. 相似文献