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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].

SUBMITTER: Venkatesan P

PROVIDER: S-EPMC4257424 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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

Venkatesan P P Rajakannan V V Thamotharan S S

Acta crystallographica. Section E, Structure reports online 20141129 Pt 12

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 ch ...[more]

PMID: 25552997

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