Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination
نویسندگان
چکیده
The crystal structure of the title mol-ecular salt, C5H11N3 (+)·2Cl(-), was redetermined. In comparison with the previous study [Bonnet et al. (1975 ▸). Bull. Soc. Fr. Mineral. Crist. 98, 208-213.], the positions of some H atoms were corrected, allowing a more accurate description of the hydrogen-bonding scheme. In addition, the absolute structure was also determined. The maximum differences in terms of bond lengths and angles between the two determinations are 0.022 Å and 1.43°, respectively. The organic cation display a anti conformation of the protonated amine function and the imidazolium ring. The dihedral angle between the imidazolium plane and the plane through the C-C-N side chain is 29.58 (3)°. In the crystal, the organic cations and Cl(-) anions are stacked alternatively into layers parallel to (100). N-H⋯Cl hydrogen bonds between all H atoms of the ammonium group and both N-H groups of the imidazolium ring and the Cl(-) acceptor anions lead to the linkage of organic and inorganic layers into a three-dimensional network.
منابع مشابه
Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate
The asymmetric unit of the title hydrated salt, (C10H18N8S2)2[BiCl6]NO3·2H2O, contains two independent 3-amino-1-carbamo-thioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)meth-yl]sulfan-yl}eth-yl)amino]-1H-1,2,4-triazol-4-ium cations, one hexa-chloridobismuthate anion, one nitrate anion and two solvent water mol-ecules. The dihedral angles between the imidazole and triazole rings in the cations a...
متن کاملStructural characterization of two tetrachloridozincate salts of 4-carboxy-1H-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate
Imidazole-containing compounds exhibit a myriad of pharmacological activities. Two tetra-chlorido-zincate salts of 4-carb-oxy-1H-imidazol-3-ium, ImHCO2H+, are reported. Bis(4-carb-oxy-1H-imidazol-3-ium) tetra-chlorido-zincate monohydrate, (C4H5N2O2)2[ZnCl4]·H2O, (I), crystallizes as a monohydrate salt, while bis-(4-carb-oxy-1H-imidazol-3-ium) tetra-chlorido-zincate bis-(1H-imidazol-3-ium-4-carb...
متن کاملCrystal structure of 1H-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate
The title salt, C3H5N2 (+)·C10H6NO4 (-), was obtained during a study of the co-crystallization of N'-[bis-(1H-imidazol-1-yl)methyl-ene]isonicotinohydrazide with (1,3-dioxoisoindolin-2-yl)acetic acid under aqueous conditions. The 1,3-dioxoisoindolinyl ring system of the anion is essentially planar [maximum deviation = 0.023 (2) Å]. In the crystal, cations and anions are linked via classical N-H⋯...
متن کاملl-Alanylglycylhistamine dihydrochloride
In the title compound {systematic name: 4-[2-({N-[(2S)-2-ammonio-propano-yl]glyc-yl}amino)-eth-yl]-1H-imidazol-3-ium dichloride}, C(10)H(19)N(5)O(2) (2+)·2Cl(-), the pseudo-tripeptide l-alanyl-glycyl-histamine is protonated at both the terminal amino group and the histidine N2 atom. The resulting positive charges are neutralized by two chloride anions. In the crystal, the organic cation adopts ...
متن کامل1,3-Bis[(3-allylimidazol-3-ium-1-yl)methyl]benzene bis(hexafluoridophosphate)
In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (-), the ethene and 3-allyl-imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664 (19):0.336 (19) and 0.784 (7):0.216 (7), respectively, whereas four F atoms of one hexa-fluoridophosphate anion and all atoms in the other hexa-fluoridophosphate anion are disordered over two positions with refi...
متن کامل