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Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrim-idin-1-ium bromide monohydrate.

ABSTRACT: In the title hydrated salt, C19H24N3 (+)·Br(-)·H2O, the values of the N-C bond lengths within the tetra-hydro-pyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water mol-ecules are linked by O-H⋯Br, O-H⋯N, C-H⋯Br and C-H⋯O hydrogen bonds into chains running parallel to the b axis.

SUBMITTER: Quo Q

PROVIDER: S-EPMC4438856 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrim-idin-1-ium bromide monohydrate.

Quo Qi Q Yang Liangru L Mao Pu P Xiao Yongmei Y Yuan Jinwei J

Acta crystallographica. Section E, Crystallographic communications 20150304 Pt 4

In the title hydrated salt, C19H24N3 (+)·Br(-)·H2O, the values of the N-C bond lengths within the tetra-hydro-pyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water mol-ecules are linked by O-H⋯Br, O-H⋯N, C-H⋯Br and C-H⋯O hydrogen bonds into chains running parallel to the b axis. ...[more]

PMID: 26029425

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