Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate
Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Abdallah M. Alfayomy, Sahar M. Abou Seri, Shaban A. A. Abdel‐Raheem, Mokhtar A. Abd ul‐Malik
Abstract
In the title molecule, C 23 H 20 Cl 2 N 4 O 3 S, the thiazole ring is planar while the pyrimidine unit fused to it adopts a screw-boat conformation. In the crystal, thick sheets parallel to the bc plane are formed by N—H...N, C—H...N and C—H...O hydrogen bonds together with π–π interactions between the formamido carbonyl groups and the thiazole rings. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (30.9%), Cl...H/H...Cl (20.7%), C...H/H...C (16.8%) and O...H/H...O (11.4%) interactions.
Topics & Concepts
ChemistryCrystal (programming language)Crystal structureCrystallographyStereochemistryComputer scienceProgramming languageSynthesis and biological activityCrystal structures of chemical compoundsSynthesis and Reactivity of Sulfur-Containing Compounds