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2-(4-Bromo-anilino)-6-(4-chloro-phen-yl)-5-meth-oxy-carbonyl-4-methyl-3,6-dihydro-pyrimidin-1-ium chloride.

ABSTRACT: In the title molecular salt, C19H18BrClN3O2 (+)·Cl(-), the dihedral angles between the pyrimidine ring and the chlorobenzene and bromobenzene rings are 72.4?(2) and 45.5?(2)°, respectively. The dihedral angle between the chlorobenzene and bromobenzene rings is 27.5?(2)°. The conformation of the mol-ecule is stabilized by an intra-molecular C-H?O inter-action. In the crystal, the anion and cation are linked by an N-H?Cl hydrogen bond. Pairs of weak C-H?O and C-H?Cl hydrogen bonds form inversion dimers. Further N-H?Cl hydrogen bonds form R 2 (1)(6) motifs and link the dimers into chains along [101]. Br?Cl short contacts [3.482?(2)?Å] inter-link the hydrogen-bonded chains along the b-axis direction.

SUBMITTER: Venugopala KN

PROVIDER: S-EPMC3629576 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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2-(4-Bromo-anilino)-6-(4-chloro-phen-yl)-5-meth-oxy-carbonyl-4-methyl-3,6-dihydro-pyrimidin-1-ium chloride.

Venugopala K N KN Nayak Susanta K SK Odhav Bharti B

Acta crystallographica. Section E, Structure reports online 20130309 Pt 4

In the title molecular salt, C19H18BrClN3O2 (+)·Cl(-), the dihedral angles between the pyrimidine ring and the chlorobenzene and bromobenzene rings are 72.4 (2) and 45.5 (2)°, respectively. The dihedral angle between the chlorobenzene and bromobenzene rings is 27.5 (2)°. The conformation of the mol-ecule is stabilized by an intra-molecular C-H⋯O inter-action. In the crystal, the anion and cation are linked by an N-H⋯Cl hydrogen bond. Pairs of weak C-H⋯O and C-H⋯Cl hydrogen bonds form inversion d ...[more]

PMID: 23634063

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