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1.
Krishnan Ravikumar Balasubramanian Sridhar 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o212-o214
In the title compound, 2C5H6N5+·C8H4O42−·C8H6O4·1.45H2O, the asymmetric unit comprises two adeninium cations, two half phthalate anions with crystallographic C2 symmetry, one neutral phthalic acid molecule, and one fully occupied and one partially occupied site (0.45) for water molecules. The adeninium cations form N—H⋯O hydrogen bonds with the phthalate anions. The cations also form infinite one‐dimensional polymeric ribbons via N—H⋯N interactions. In the crystal packing, hydrogen‐bonded columns of cations, anions and phthalate anions extend parallel to the c axis. The water molecules crosslink adjacent columns into hydrogen‐bonded layers. 相似文献
2.
Ri‐Cheng Xuan Min Xu Dong‐Ping Cheng 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m587-m589
In the title compound, [CuCl2(C9H12N2O)], the CuII atom is coordinated by two Cl− anions and two N atoms of one O‐ethyl 3‐methylpyridine‐2‐carboximidic acid molecule in a slightly distorted square‐planar geometry, with Cu—N distances of 2.0483 (17) and 1.9404 (18) Å, and Cu—Cl distances of 2.2805 (10) and 2.2275 (14) Å. In addition, each CuII atom is connected by one Cl− anion and the CuII atom from a neighbouring molecule, with Cu⋯Cl and Cu⋯Cu distances of 2.9098 (13) and 3.4022 (12) Å, respectively, and, therefore, a centrosymmetric dimer is formed. Adjacent molecular dimers are connected by π–π stacking interactions between pyridine rings to form a zigzag molecular chain. The molecular chains are also enforced by N—H⋯Cl and C—H⋯Cl interactions. 相似文献
3.
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
4.
Xu‐Xiu Yan Li‐Ping Lu Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m221-m223
The crystal structure of the title compound, tetrachloro[μ‐1,1,4,7,7‐pentakis(1H‐benzimidazol‐2‐ylmethyl)‐1,4,7‐triazaheptane]dimanganese(II) methanol pentasolvate tetrahydrate, [Mn2Cl4(C44H43N13)]·5CH4O·4H2O, contains an asymmetric dinuclear MnII–DTPB [DTPB is 1,1,4,7,7‐pentakis(1H‐benzimidazol‐2‐ylmethyl)‐1,4,7‐triazaheptane] complex with an intra‐ligand bridging group (–NCH2CH2N–), as well as several solvate molecules (methanol and water). Both MnII cations have similar distorted octahedral coordination geometries. One MnII cation is coordinated by a Cl− anion and five N atoms from the ligand, and the other is coordinated by three Cl− anions and three N atoms of the same ligand. The Mn⋯Mn distance is 7.94 Å. A Cl⋯H—O⋯H—O⋯H—N hydrogen‐bond chain is also observed, connecting the two parts of the complex. 相似文献
5.
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
6.
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
7.
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
8.
Viktor A. Tafeenko Rene Peschar Olga V. Kaukova Henk Schenk Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o62-o64
In the title compound, C8H12N+·C8HN4O2−, the anion and cation lie on a crystallographic mirror plane and form planar ribbons via N—H⋯O [N⋯O = 2.933 (4) Å, H⋯O = 2.01 Å and N—H⋯O = 170°] and N—H⋯N [N⋯N = 3.016 (5) Å, H⋯N = 2.15 Å and N—H⋯N = 169°] hydrogen bonds. The ribbons are further linked via weak C—H⋯O and C—H⋯N hydrogen bonds. In adjacent planes, anions lie opposite cations; π–π interactions (separation a/2 = 3.520 Å) exist between the anions and the cations, and stacks are formed, running along the a axis. The cations are disordered over two interpenetrating sites, with occupancies of 0.833 (5) and 0.167 (5). 相似文献
9.
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
10.
Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o240-o243
In the title compound, 2C8H12N+·2C4H3N4O4−·C8H11N, the anions are linked by paired N—H⋯N hydrogen bonds [H⋯N = 2.07 and 2.11 Å, N⋯N = 2.942 (3) and 2.978 (3) Å and N—H⋯N = 173 and 170°] and by paired N—H⋯O hydrogen bonds [H⋯O = 1.98 and 2.05 Å, N⋯O = 2.855 (3) and 2.917 (3) Å, and N—H⋯O = 173 and 167°] into chains of rings. These chains are linked into sheets by further N—H⋯O hydrogen bonds in which all of the donors are provided by the cations [H⋯O = 1.83–2.17 Å, N⋯O = 2.747 (3)–2.965 (3) Å and N—H⋯O = 141–168°]. The neutral amine molecule is pendent from the sheet and is linked to it by a single N—H⋯N hydrogen bond [H⋯N = 2.00 Å, N⋯N = 2.901 (3) Å and N—H⋯N = 175°]. 相似文献
11.
Svitlana R. Petrusenko Wolfgang Linert Viktoria V. Dyakonenko Oksana V. Nesterova Oleg V. Shishkin 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m281-m283
The title salt, [Zn(C2N2H8)3]2[CdI4]I2, conventionally abbreviated [Zn(en)3]2[CdI4]I2, where en is ethylenediamine, contains discrete [Zn(en)3]2+ cations and [CdI4]2− anions with distorted octahedral and nearly tetrahedral geometries, respectively, as well as uncoordinated I− ions. The cation and the free I− anion lie on twofold rotation axes and the [CdI4]2− anion lies on a axis in the space group I2d. The structure exhibits numerous weak inter‐ionic hydrogen bonds of two types, viz. N—H⋯I−(free ion) and N—H⋯I([CdI4]2−), which support the resulting three‐dimensional framework. 相似文献
12.
Ivana Jarak Grace Karminski‐Zamola Gordana Pavlovi Zora Popovi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o98-o100
The title compound, C10H16N·Cl−·C2H6O, is an important intermediate in the convergent synthesis of amidine‐substituted polycyclic heterocycles, a class of compounds that shows significant anticancer activity. The molecule of (I) is not planar, having a dihedral angle of 25.00 (7)° between the aniline and amidine (–C—NH=C=NH2) groups. The protonation of the amidine molecular fragment is accompanied by delocalized C—N bond distances of 1.320 (2) and 1.317 (2) Å. The cations and chloride anions are involved in a network of hydrogen bonds, resulting in the formation of infinite chains propagating along the b direction. The chains are further grouped within the ab plane, in such a way that the structure is segregated into layers dominated by hydrophobic interactions involving N‐isopropyl residues and layers dominated by N—H⋯Cl [N⋯Cl = 3.275 (2)–3.596 (2) Å], O—H⋯Cl [O⋯Cl = 3.229 (3) Å] and N—H⋯O [N⋯O = 2.965 (3) Å] hydrogen bonds. 相似文献
13.
Brandy H. Courtney Booker W. O. Juma Steven F. Watkins Frank R. Fronczek George G. Stanley 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o268-o270
In the title compound, C2H8N+·C12H11O5P2−, pairs of hydrogen diphenyldiphosphonate anions form dimers across a twofold axis, with two symmetric O⋯H⋯O hydrogen bonds [O⋯O = 2.406 (3) and 2.418 (3) Å]. The 12‐membered ring thus formed has crystallographic 2 and quasi‐222 symmetry. Cations on either side of the ring form N—H⋯O hydrogen bonds to the four extraannular O atoms, with N⋯O distances of 2.765 (2) and 2.748 (3) Å. 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.
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
16.
Maksymilian Chruszcz Marcin Cymborowski Anna Gawlicka‐Chruszcz Shoichi Yasukawa Joseph D. Ferrara Wladek Minor 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):o868-o871
The crystal structures of the title compounds, (S)‐1‐carboxy‐3‐(methylsulfanyl)propanaminium chloride, C5H12NO2S+·Cl−, and (S)‐1‐carboxy‐3‐(methylselanyl)propanaminium chloride, C5H12NO2Se+·Cl−, are isomorphous. The protonated l ‐methionine and l ‐selenomethionine molecules have almost identical conformations and create very similar contacts with the Cl− anions in the crystal structures of both compounds. The amino acid cations and the Cl− anions are linked viaN—H⋯Cl− and O—H⋯Cl− hydrogen bonds. 相似文献
17.
Delphine Firley Bernard Fraisse Fatima Zouhiri Anne Spasojevi‐de Bir Didier Desmaële Jean D'Angelo Nour Eddine Ghermani 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o154-o157
Both 7‐carboxylato‐8‐hydroxy‐2‐methylquinolinium monohydrate, C11H9NO3·H2O, (I), and 7‐carboxy‐8‐hydroxy‐2‐methylquinolinium chloride monohydrate, C11H10NO3+·Cl−·H2O, (II), crystallize in the centrosymmetric P space group. Both compounds display an intramolecular O—H⋯O hydrogen bond involving the hydroxy group; this hydrogen bond is stronger in (I) due to its zwitterionic character [O⋯O = 2.4449 (11) Å in (I) and 2.5881 (12) Å in (II)]. In both crystal structures, the HN+ group participates in the stabilization of the structure via intermolecular hydrogen bonds with water molecules [N⋯O = 2.7450 (12) Å in (I) and 2.8025 (14) Å in (II)]. In compound (II), a hydrogen‐bond network connects the Cl− anion to the carboxylic acid group [Cl⋯O = 2.9641 (11) Å] and to two water molecules [Cl⋯O = 3.1485 (10) and 3.2744 (10) Å]. 相似文献
18.
David J. Brauer Konstantin W. Kottsieper 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o244-o246
The title compound, C2H7N4O+·CH4O3P−·H2O, crystallized with one carbamoylguanidinium cation, one methylphosphonate anion and one water molecule in the asymmetric unit. All H atoms of the carbamoylguanidinium ion are involved in a hydrogen‐bonded network. The CH3PO2(OH) anions, together with the water molecules, build O—H⋯O hydrogen‐bonded ribbons around a 21 screw axis parallel to the b axis. Neighbouring ribbons are not directly connected via hydrogen bonding. The carbamoylguanidinium cations are linked to these ribbons by N—H⋯O bridges and build a slightly buckled layer structure, the interlayer distance being b/2. 相似文献
19.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o211-o214
In the title compound, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium maleate monohydrate, C3H7N6+·C4H3O4−·H2O, containing singly protonated melaminium residues, maleate(1−) anions and water molecules, the components are linked by hydrogen bonds into a three‐dimensional framework structure. The melaminium residues are connected by two pairs of N—H⋯N hydrogen bonds into chains in the form of stacks, with a distance of 3.26 (1) Å between the triazine rings, clearly indicating π–π interactions. The maleate anion contains an intramolecular O—H⋯O hydrogen bond and the anions interact with the water molecules via O—H⋯O hydrogen bonds, forming zigzag chains, also in the form of stacks, in which the almost‐planar maleate anions are separated by 3.26 (1) Å. The experimental geometries of the ions are compared with molecular‐orbital calculations of their gas‐phase geometries. 相似文献
20.
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