Crystal structure and Hirshfeld surface analysis of 5-acetyl-3-amino-6-methyl-N-phenyl-4-[(E)-2-phenylethenyl]thieno[2,3-b]pyridine-2-carbox-amide


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Mohamed S. K., Bakhite E. A., TÜRKTEKİN ÇELİKESİR S., Abdu-Allah H. H. M., AKKURT M., Ibrahim O. F., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.225-248, 2022 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 78
  • Publication Date: 2022
  • Doi Number: 10.1107/s2056989022000743
  • Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.225-248
  • Keywords: crystal structure, styryl group, thiopyridine, N-phenylcarboxamido group, C-H center dot center dot center dot pi(ring) interactions, Hirshfeld surface analysis, THIENOPYRIDINES, DERIVATIVES, CHEMISTRY
  • Erciyes University Affiliated: Yes

Abstract

The asymmetric unit of the title compound, C25H21N3O2S, comprises four molecules. Their conformations differ primarily in the orientations of the styryl and the N-phenylcarboxamido groups. In the crystal, intermolecular N-H center dot center dot center dot N, C-H center dot center dot center dot O and C-H center dot center dot center dot S hydrogen-bonding contacts as well a C-H center dot center dot center dot pi(ring) interactions lead to the formation of a layer structure parallel to (010). Hirshfeld surface analysis revealed that H center dot center dot center dot H interactions represent the main contributions to the crystal packing.