Research Article: 2-(4-Amino­phen­yl)-3,4,5,6-tetra­hydro­pyrimidin-1-ium chloride

Date Published: May 01, 2012

Publisher: International Union of Crystallography

Author(s): Krešimir Molčanov, Ivana Stolić, Biserka Kojić-Prodić, Goran Kovačević, Miroslav Bajić.

http://doi.org/10.1107/S1600536812014493

Abstract

In the title compound, C10H14N3+·Cl−, the tetra­hydro­pyridinium ring of the cation, which adopts a slightly distorted envelope conformation, is disordered over two orientations with an occupancy ratio of 0.653 (5):0.347 (5). The amidinium fragment of the major conformer is twisted relative to the benzene ring by 22.5 (6)° and the two C—N bond lengths of this fragment are similar [1.3228 (16) and 1.319 (2) Å]. In the crystal, the chloride anions are involved in three N—H⋯Cl hydrogen bonds, which link the components into a two-dimensional hydrogen-bonded network parallel to (010).

Partial Text

For the synthesis, see: Wydra et al. (1990 ▶); Stolić et al. (2009 ▶, 2011 ▶). For related compounds, see: Molčanov et al. (2011 ▶); Jarak et al. (2005 ▶); Legrand et al. (2008 ▶). For the biological activity of compounds comprising a cyclic amidine system, see: Boykin (2002 ▶); Chaires et al. (2004 ▶); Farahat et al. (2011 ▶); Hall et al. (1998 ▶). For the GAMESS program package, see: Schmidt et al. (1993 ▶).

 

Source:

http://doi.org/10.1107/S1600536812014493