Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine

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Nikitina E., TÜRKTEKİN ÇELİKESİR S., AKKURT M., Petkevich S. K., Akishina E. A., Khrustalev V. N., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.453-463, 2022 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 78
  • Publication Date: 2022
  • Doi Number: 10.1107/s2056989022003450
  • Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.453-463
  • Keywords: crystal structure, hydrogen bonds, C-H center dot center dot center dot pi interactions, pi-pi stacking interactions, Hirshfeld surface analysis
  • Erciyes University Affiliated: Yes

Abstract

The title compound, C11H8N4OS, crystallizes with two independent molecules in the asymmetric unit. In the crystal, the N-H center dot center dot center dot N and C-H center dot center dot center dot N hydrogen bonds connect the molecules, generating double layers parallel to the (001) plane. The layers are joined by C-H center dot center dot center dot pi interactions to form a three-dimensional supramolecular structure.