2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4- methyl-3,6-dihydropyrimidin-1-ium chloride
Venugopala, Katharigatta Narayanaswamy
Nayak, Susanta K.
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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 molecule is stabilized by an intramolecular C-H...O interaction. 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 R21(6) motifs and link the dimers into chains along . Br...Cl short contacts [3.482 (2) Å] interlink the hydrogen-bonded chains along the b-axis direction.
Venugopala, K.N.; Nayak, S.K. and Odhav, B. 2013. 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4- methyl-3,6-dihydropyrimidin-1-ium chloride. Acta Crystallographica Section E, E(69): 518-o519