Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate

Abstract

In the title compound, C20H16Cl2N2O2S, the pyrimidine ring has a screw-boat conformation. The attached dichlorophenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzothiazole group is approximately planar (r.m.s. deviation = 0.008 Å) and inclined to the pyrimidine ring mean plane by 3.04 (10)°. The carboxylate group assumes an extended conformation with respect to the pyrimidine ring, which can be seen from the O=C—O—C torsion angle of 3.2 (4) °. In the crystal, molecules are linked via C—H...O and C—H...N hydrogen bonds, forming slabs lying parallel to (100).

Keywords

• crystal structure
• pyrimidine
• benzothiazole
• C—H...O hydrogen bonds
• C—H...N hydrogen bonds