Crystal structure of 3-amino-1-propyl-pyridinium bromide

P Venkatesan; V Rajakannan; S Thamotharan

doi:10.1107/S1600536814025665

Crystal structure of 3-amino-1-propyl-pyridinium bromide

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 29;70(Pt 12):580-3. doi: 10.1107/S1600536814025665. eCollection 2014 Dec 1.

Authors

P Venkatesan¹, V Rajakannan², S Thamotharan³

Affiliations

¹ School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, India.
² Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Chennai 600 025, India.
³ Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur 613 401, India.

Abstract

The title mol-ecular salt, C8H13N2 (+)·Br(-), crystallizes with two independent 3-amino-pyridinium cations and two bromide anions in the asymmetric unit (Z' = 2). In the pyridine ring, the N atom is alkyl-ated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cation A, whereas the corresponding angle is 89.23 (2)° in cation B. In the crystal, the anions and cations are linked via N-H⋯Br and C-H⋯Br hydrogen bonds, forming chains propagating along [100].

Keywords: C—H⋯Br hydrogen bonds; N—H⋯Br hydrogen bonds; crystal structure; molecular salt; pyridinium salt.