Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 0.25-hydrate

Abstract

In the title compound, C24H23FN4O4S·0.25H2O, the dihydropyrimidine ring is distinctly non-planar, with the flap C atom deviating by 0.297 (2) Å from the least-squares plane. In the crystal, zigzag chains are formed by N—H...N hydrogen bonds parallel to [010] and are connected into layers parallel to (100) by O—H...O, O—H...F, C—H...O, C—H...F and C—H...N hydrogen bonds. Additional C—H...O hydrogen bonds connect the layers into a three-dimensional network. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H...H (42.6%), O...H/H...O (16.8%) and C...H/H...C (15.5%) contacts.

Keywords

• crystal structure
• pyrimidine
• thiazole
• hydrogen bond
• hirshfeld surface analysis