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

Abstract : 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
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Submitted on : Tuesday, December 1, 2015 - 5:07:06 PM
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Samira Louhibi, Imene Belfilali, Leila Boukli-Hacene, Thierry Roisnel. Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination. Acta crystallographica. Section E, Crystallographic communications, International Union of Crystallography, 2015, 71 (Pt 11), pp.o844--o845. ⟨10.1107/S2056989015018848⟩. ⟨hal-01236435⟩



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