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

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.

Figure 1

The mol­ecular structure of the title salt, showing the atom labelling. Displacement ellipsoids are drawn at the 50% probability level.

Figure 2

Structural superimposition of the non-H atoms of the pyridinium cations (green: cation A; violet: cation B).

Figure 3

The crystal packing of the title salt projected onto the bc plane. The N—H⋯Br and C—H⋯Br hydrogen bonds are shown as dashed lines (see Table 1 ▶ for details).

Figure 4

Part of the crystal structure of the title salt, showing the formation of an (12) ring motif (see Table 1 ▶ for details; only the inter­acting atoms are labelled).

Figure 5

Part of the crystal structure of the title salt, showing the formation of a hydrogen-bonded chain that runs parallel to the a axis (see Table 1 ▶ for details; only the inter­acting atoms are labelled).