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Crystal structure and Hirshfeld surface analysis of ethyl (3 E )-5-(4-chloro-phen-yl)-3-{[(4-chloro-phen-yl)formamido]-imino}-7-methyl-2 H ,3 H ,5 H -[1,3]thia-zolo[3,2- a ]pyrimidine-6-carboxyl-ate.

Authors :
Mohamed SK
Mague JT
Akkurt M
Alfayomy AM
Seri SMA
Abdel-Raheem SAA
Ul-Malik MAA
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 26; Vol. 78 (Pt 8), pp. 846-850. Date of Electronic Publication: 2022 Jul 26 (Print Publication: 2022).
Publication Year :
2022

Abstract

In the title mol-ecule, C <subscript>23</subscript> H <subscript>20</subscript> Cl <subscript>2</subscript> N <subscript>4</subscript> O <subscript>3</subscript> S, the thia-zole 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 inter-actions between the formamido carbonyl groups and the thia-zole 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%) inter-actions.<br /> (© Mohamed et al. 2022.)

Details

Language :
English
ISSN :
2056-9890
Volume :
78
Issue :
Pt 8
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
35974819
Full Text :
https://doi.org/10.1107/S205698902200603X