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1.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e149-e150
In the three title crystal structures 4‐(dimethylamino)pyridinium 2,4‐dinitrobenzoate, (I), 4‐(dimethylamino)pyridinium 3,4‐dinitrobenzoate, (II), and 4‐(dimethylamino)pyridinium 3,5‐dinitrobenzoate, (III), all C7H11N2+·C7H3N2O6?, the ions are connected by an N—H?O hydrogen bond. Dihedral angles between the pyridine and phenyl rings are 69.9 (1), 26.7 (1) and 56.2 (1)° in (I), (II) and (III), respectively. Donor–acceptor π–π stacking is observed in (II) and (III), but not in (I). 相似文献
2.
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
3.
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
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.
Teruki Sugiyama Jiben Meng Teruo Matsuura 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o242-o246
The crystal structures of the four isomeric organic salts 4‐aminopyridinium 2‐chloro‐4‐nitrobenzoate, (I), 4‐aminopyridinium 2‐chloro‐5‐nitrobenzoate, (II), 4‐aminopyridinium 5‐chloro‐2‐nitrobenzoate, (III), and 4‐aminopyridinium 4‐chloro‐2‐nitrobenzoate, (IV), all C5H7N2+·C7H3ClNO4?, are presented. Compound (I) has one intramolecular hydrogen bond, one intermolecular C—H?O hydrogen bond and π–π‐stacking interactions. Compound (II) has N—H?O, C—H?O and C—H?Cl hydrogen bonds, and Cl?O—C electrostatic interactions. Compound (III) has N—H?O and C—H?O hydrogen bonds. Compound (IV) has a π–π‐stacking interaction, but no C—H?O hydrogen bonds. 相似文献
6.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o589-o590
In the title ternary complex, C10H9N2+·C7H3N2O6?·C7H4N2O6, the pyridinium cation adopts the role of the donor in an intermolecular N—H?O hydrogen‐bonding interaction with the carboxylate group of the 3,5‐dinitrobenzoate anion. The molecules of the ternary complex form molecular ribbons perpendicular to the b direction, which are stabilized by one N—H?O, one O—H?O and five C—H?O intermolecular hydrogen bonds. The ribbons are further interconnected by three intermolecular C—H?O hydrogen bonds into a three‐dimensional network. 相似文献
7.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o46-o47
In the title complex, the 1:1 ionic adduct of hexamethylenetetraminium and 2,4,6‐trinitrophenolate, C6H13N4+·C6H2N3O7?, the cation acts as a donor for bifurcated hydrogen bonds to the O atoms of the phenolate and one of the nitro groups of the 2,4,6‐trinitrophenolate anion. The crystal structure is built from sheets of cations and anions, and is stabilized by intermolecular C—H?O and C—H?π interactions. 相似文献
8.
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
9.
Russell G. Baughman Kenneth L. Martin Rajendra K. Singh James O. Stoffer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o103-o106
In 2,4‐dihydroxybenzaldehyde 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate {or 4‐[(2,4‐dinitrophenyl)hydrazonomethyl]benzene‐1,3‐diol N,N‐dimethylformamide solvate}, C13H10N4O6·C3H7NO, (X), 2,4‐dihydroxyacetophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate (or 4‐{1‐[(2,4‐dinitrophenyl)hydrazono]ethyl}benzene‐1,3‐diol N,N‐dimethylformamide solvate), C14H12N4O6·C3H7NO, (XI), and 2,4‐dihydroxybenzophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylacetamide solvate (or 4‐{[(2,4‐dinitrophenyl)hydrazono]phenylmethyl}benzene‐1,3‐diol N,N‐dimethylacetamide solvate), C19H14N4O6·C4H9NO, (XII), the molecules all lack a center of symmetry, crystallize in centrosymmetric space groups and have been observed to exhibit non‐linear optical activity. In each case, the hydrazone skeleton is fairly planar, facilitated by the presence of two intramolecular hydrogen bonds and some partial N—N double‐bond character. Each molecule is hydrogen bonded to one solvent molecule. 相似文献
10.
Ming‐Lin Guo 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o690-o692
The title adduct, C5H14N22+·C8H3NO62−·C8H5NO6·H2O, crystallizes in the monoclinic space group P21. All O atoms of the 4‐nitrophthalate anions and neutral 4‐nitrophthalic acid molecules are involved in hydrogen bonding with the piperazine dication and the water molecule of crystallization. 相似文献
11.
Andrei S. Batsanov 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e269-e270
The molecule of 3,5‐difluoro‐4‐nitropyridine N‐oxide, C5H2F2N2O3, is twisted around the C—NO2 bond by 38.5 (1)°, while the 3,5‐diamino analogue, 3,5‐diamino‐4‐nitropyridine N‐oxide monohydrate, C5H6N4O3·H2O, adopts a planar conformation stabilized by intramolecular hydrogen bonds, with a significant redistribution of π electrons. 相似文献
12.
Carlos Lodeiro Rufina Bastida Alejandro Macías Adolfo Rodríguez Andre Saint‐Maurice 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e255-e256
The X‐ray structure determinations of the two title compounds, namely 7‐methyl‐7,17‐diaza‐3,11‐diazoniabicyclo[11.3.1]heptadeca‐1(17),13,15‐triene dichloride monohydrate, C14H26N42+·2Cl?·H2O, (I), and 7‐methyl‐17‐aza‐3,7,11‐triazoniabicyclo[11.3.1]heptadeca‐1(17),13,15‐triene 2.826‐chloride 0.174‐nitrate, C14H27N43+·2.826Cl?·0.174NO3?, (II), are reported. Protonation occurs at the secondary amine N atoms in (I) and at all three amine N atoms in (II) to which the Cl? ions are linked via N—H?Cl hydrogen bonds. The macrocyclic hole is quite different in both structures, as is observed by comparing particularly the N3?N4 distances [2.976 (4) and 4.175 (4) Å for (I) and (II), respectively]. In (II), a Cl? ion alternates with an NO3? ion in a disordered structure. 相似文献
13.
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
14.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e260-e261
In the title two adducts, C3H12N22+·2C9H6NO4?, (I), and C6H16N22+·2C9H6NO4?, (II), hydrogen bonds between the diammonium and carboxylate ions form a two‐dimensional network parallel to the ab plane in (I) and one‐dimensional chains along the c axis in (II). The cyclohexanediammonium ion in (II) has a crystallographic twofold axis. 相似文献
15.
Agata Biaoska Zbigniew Ciunik 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o450-o453
Crystals of brucinium 3,5‐dinitrobenzoate methanol solvate, C23H27N2O4+·C7H3N2O6−·CH3OH, (I), brucinium 3,5‐dinitrobenzoate methanol disolvate, C23H27N2O4+·C7H3N2O6−·2CH3OH, (II), and brucinium 3,5‐dinitrobenzoate trihydrate, C23H27N2O4+·C7H3N2O6−·3H2O, (III), were obtained from methanol [for (I) and (II)] or ethanol solutions [for (III)]. The brucinium cations and 3,5‐dinitrobenzoate anions are linked by ionic N—H+⋯O− hydrogen bonds. In the crystals of (I), (II) and (III), the brucinium cations exhibit different modes of packing, viz. corrugated ribbons, pillars and corrugated monolayer sheets, respectively. While in (III), the amide O atom of the brucinium cation participates in O—H⋯O hydrogen bonds, in which water molecules are the donors, in (I) and (II), the amide O atom of the brucinium cation is involved in weak C—H⋯O hydrogen bonds and other brucinium cations are the donors. 相似文献
16.
Maksymilian Chruszcz Krzysztof Lewinski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m150-m151
The structural data for sodium 2‐hydroxy‐5‐nitrobenzylsulfonate monohydrate, Na+·C7H6NO6S?·H2O, which mimics an artificial substrate for human arylsulfatase A, viz. p‐nitrocatechol sulfate, reveal that the geometric parameters of the substrate and its analogue are very similar. Two water molecules, the phenolic O atom and three sulfonate O atoms form the coordination sphere of the Na+ ion, which is a distorted octahedron. The Na+ cations and the O atoms join to form a chain polymer. 相似文献
17.
Hiroyuki Ishida Bilkish Rahman Setsuo Kashino 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):876-879
2‐Chloro‐4‐nitrobenzoic acid and 2‐chloro‐5‐nitrobenzoic acid form O—H?N hydrogen bonds with pyrazine to afford 2:1 complexes of 2C7H4ClNO4·C4H4N2, (I) and (II), respectively, that are located on inversion centers. The 2C7H4ClNO4·C4H4N2 units in both complexes are connected by weak C—H?O hydrogen bonds; the units build a three‐dimensional hydrogen‐bond network in (I) and a ribbon structure in (II). 相似文献
18.
Elizabeth J. MacLean Simon J. Teat Dorcas M. M. Farrell George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o470-o473
The title compound, meso‐5,7,7,12,14,14‐hexamethyl‐4,11‐diaza‐1,8‐diazoniacyclotetradecane bis(3‐carboxy‐5‐nitrobenzoate), C16H38N42+·2C8H4NO6?, is a salt in which the cation is present as two configurational isomers, disordered across a common centre of inversion in P, with occupancies of 0.847 (3) and 0.153 (3). The anions are linked into chains by a single O—H?O hydrogen bond [H?O 1.71 Å, O?O 2.5063 (15) Å and O—H?O 156°] and the cations link these anion chains into sheets by means of a range of N—H?O hydrogen bonds [H?O 1.81–2.53 Å, N?O 2.718 (5)–3.3554 (19) Å and N—H?O 146–171°]. 相似文献
19.
John N. Low Paloma Arranz Justo Cobo M. Angeles Fontecha M. Luz Godino Rafael Lpez Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):534-537
In the title compound, polymeric potassium N‐(6‐amino‐3,4‐dihydro‐3‐methyl‐5‐nitroso‐4‐oxopyrimidin‐2‐yl)glycylglycinate hydrate, (K+·C9H11N6O5?·H2O)n, the hexacoordinate K+ cation is linked to five different anions as well as to the water molecule, with K—O distances in the range 2.617 (2)–2.850 (2) Å. Four of the O atoms in each anion coordinate to K centres, one of them acting as a bridging ligand, leading to the formation of nearly square centrosymmetric K2O2 rings. The structure is analysed in terms of (010) metal–ligand sheets linked by [010] chains of fused rings. 相似文献
20.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e147-e148
In the two title compounds, N‐methylcarbazole–3,5‐dinitrobenzonitrile (1/1), C13H11N·C7H3N3O4, (I), and N‐ethylcarbazole–3,5‐dinitrobenzonitrile (1/1), C14H13N·C7H3N3O4, (II), the donor and acceptor molecules are stacked alternately to form one‐dimensional columns. In (I), the N‐methyl group of the donor is nearly eclipsed with respect to one of the nitro groups of the neighboring acceptor in a column, whereas the N‐ethyl group is anti with respect to the cyano group of the neighboring acceptor in (II). 相似文献