2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride
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...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-04-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813006296 |
| Summary: | 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 [101]. Br...Cl short contacts [3.482 (2) Å] interlink the hydrogen-bonded chains along the b-axis direction. |
|---|---|
| ISSN: | 1600-5368 |