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

Acta Crystallographica Section E: Crystallographic Communications

Roisnel, T.¹  Boukli-Hacene, L.²  Belfilali, I.²  Louhibi, S.² 

[1] Centre de Diffractometrie X, UMR 6226 CNRS, Unite Sciences Chimiques de Rennes, Universite de Rennes I, 263 Avenue du General Leclerc, 35042 Rennes, France;Laboratoire de Chimie Inorganique et Environnement, Universite de Tlemcen, BP119, 13000, Tlemcen, Algeria

关键词: CRYSTAL STRUCTURE;    HISTAMINE;    REDETERMINATION;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015018848

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The crystal structure of the title mol­ecular 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.

【 授权许可】

CC BY