Research Publications (Applied Sciences)
Permanent URI for this collectionhttp://ir-dev.dut.ac.za/handle/10321/213
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Item {2-[(1,3-Benzothiazol-2-yl)methoxy]-5- bromophenyl}(phenyl)methanone(International Union of Crystallography, 2013) Venugopala, Katharigatta Narayanaswamy; Nayak, Susanta K.; Odhav, BhartiIn the title compound, C21H14BrNO2S, the dihedral angle between the planes of the benzothiazole and phenylmethanone groups is 63.4 (2)°. In the crystal, pairs of C-H...N hydrogen bonds link the molecules to form inversion dimers, which are further linked by C-H...O interactions into chains along the c axis. C-H...[pi] and [pi]-[pi] interactions [centroid-centroid distance = 3.863 (1) Å] further stabilize the molecular assembly.Item 2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4- methyl-3,6-dihydropyrimidin-1-ium chloride(International Union of Crystallography, 2013-03-09) Venugopala, Katharigatta Narayanaswamy; Nayak, Susanta K.; Odhav, BhartiIn 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.