Crystal structure and Hirshfeld surface analysis 4-(4-chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]pnenyl}-1,2-oxazole


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Aydin A., AKKURT M., TURANLİ S., LENGERLİ D., BANOĞLU E., Ozcelik N. D.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.346-356, 2021 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s2056989021002383
  • Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.346-356
  • Keywords: crystal structure, vicinal diaryl isoxazole, C-H center dot center dot center dot pi interactions, Hirshfeld surface analysis
  • Gazi University Affiliated: Yes

Abstract

In the title compound, C24H20ClNO2, the mean planes of 4-chlorophenyl, 2-methylphenyl and phenylene rings make dihedral angles of 62.8 (2), 65.1 (3) and 15.1 (2)degrees, respectively, with the 5-methyl-1,2-oxazole ring. In the crystal, molecules are linked by intermolecular C-H center dot center dot center dot N, C-H center dot center dot center dot Cl, C-H center dot center dot center dot pi contacts and pi-pi stacking interactions between the phenylene groups. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H center dot center dot center dot H (48.7%), H center dot center dot center dot C/C center dot center dot center dot H (22.2%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (8.8%), H center dot center dot center dot O/O center dot center dot center dot H (8.2%) and H center dot center dot center dot N/N center dot center dot center dot H (5.1%) interactions.