Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-metnvinhenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cycionexane-1-carbox-amide 0.04-hydrate


Naghiyev F. N. , Khrustalev V. N. , AKKURT M. , Huseynov E. Z. , Khalilov A. N. , Akobirshoeva A. A. , ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.366-377, 2021 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s2056989021002449
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.366-377

Abstract

In the title compound, C25H22N2O3S center dot 0.04H(2)O, the central cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N-H center dot center dot center dot O, C-H center dot center dot center dot O, and C-H center dot center dot center dot N hydrogen bonds, forming the molecular layers parallel to the be plane, which interact by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H center dot center dot center dot H (41.2%), C center dot center dot center dot H/H center dot center dot center dot C (20.3%), O center dot center dot center dot H/H center dot center dot center dot O (17.8%) and N center dot center dot center dot H/H center dot center dot center dot N (10.6%).