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Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination

The crystal structure of the title mol­ecular salt, C(5)H(11)N(3) (+)·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 hydro...

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Detalles Bibliográficos
Autores principales: Louhibi, Samira, Belfilali, Imene, Boukli-Hacene, Leila, Roisnel, Thierry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645084/
https://www.ncbi.nlm.nih.gov/pubmed/26594557
http://dx.doi.org/10.1107/S2056989015018848
Descripción
Sumario:The crystal structure of the title mol­ecular salt, C(5)H(11)N(3) (+)·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.