Crystal structure and Hirshfeld surface analysis of 4-(4-chloro-phen-yl)-5-methyl-3-{4-[(2-methyl-phen-yl)meth-oxy]phen-yl}-1,2-oxazole

Abdullah Aydin; Mehmet Akkurt; Sumeyye Turanli; Deniz Lengerli; Erden Banoglu; Nefise Dilek Ozcelik

doi:10.1107/S2056989021002383

Crystal structure and Hirshfeld surface analysis of 4-(4-chloro-phen-yl)-5-methyl-3-{4-[(2-methyl-phen-yl)meth-oxy]phen-yl}-1,2-oxazole

Acta Crystallogr E Crystallogr Commun. 2021 Mar 5;77(Pt 4):346-350. doi: 10.1107/S2056989021002383. eCollection 2021 Apr 1.

Authors

Abdullah Aydin¹, Mehmet Akkurt², Sumeyye Turanli³, Deniz Lengerli³, Erden Banoglu³, Nefise Dilek Ozcelik⁴

Affiliations

¹ Department of Mathematics and Science Education, Faculty of Education, Kastamonu University, 37200 Kastamonu, Turkey.
² Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
³ Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, 06330 Ankara, Turkey.
⁴ Department of Physics, Faculty of Arts and Sciences, Aksaray University, 68100 Aksaray, Turkey.

Abstract

In the title compound, C₂₄H₂₀ClNO₂, the mean planes of 4-chloro-phenyl, 2-methyl-phenyl and phenyl-ene rings make dihedral angles of 62.8 (2), 65.1 (3) and 15.1 (2)°, respectively, with the 5-methyl-1,2-oxazole ring. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N, C-H⋯Cl, C-H⋯π contacts and π-π stacking inter-actions between the phenyl-ene groups. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (48.7%), H⋯C/C⋯H (22.2%), Cl⋯H/H⋯Cl (8.8%), H⋯O/O⋯H (8.2%) and H⋯N/N⋯H (5.1%) inter-actions.

Keywords: C—H⋯π interactions; Hirshfeld surface analysis; crystal structure; vicinal diaryl isoxazole.