Crystal structure and Hirshfeld surface analysis of N-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-N-(prop-2-en-1-yl)methanesulfonamide

Khrustalev, Victor; Çelikesir, Sevim; AKKURT, MEHMET; Kolesnik, Irina; Potkin, Vladimir; Mlowe, Sixberth; Reibenspies, J.

doi:10.1107/s2056989022005035

Crystal structure and Hirshfeld surface analysis of N-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-N-(prop-2-en-1-yl)methanesulfonamide

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Khrustalev V. N., Çelikesir S. T., AKKURT M., Kolesnik I. A., Potkin V. I., Mlowe S., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.78, no.Pt 6, pp.603-607, 2022 (ESCI)

Publication Type: Article / Article
Volume: 78 Issue: Pt 6
Publication Date: 2022
Doi Number: 10.1107/s2056989022005035
Journal Name: Acta Crystallographica Section E: Crystallographic Communications
Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
Page Numbers: pp.603-607
Keywords: crystal structure, the 1,2-oxazole ring, hydrogen bonds, Hirshfeld surface, ISOXAZOLE
Kayseri University Affiliated: No

Abstract

© 2022 Khrustalev et al.In the title compound, C21H22N2O3S, the 1,2-oxazole ring makes the dihedral angles of 9.16 (16) and 87.91 (17)°, respectively, with the toluene and phenyl rings, while they form a dihedral angle of 84.42 (15)° with each other. The C - S - N - Cpr and C - S - N - Cme (pr = propene, me = 3-methyl-1,2-oxazole) torsion angles are 86.8 (2) and -100.6 (3) °, respectively. In the crystal, molecules are linked by C - HO hydrogen bonds, generating a three-dimensional network. A Hirshfeld surface analysis was performed to investigate the contributions of the different intermolecular contacts within the supramolecular structure. The major interactions are HH (53.6%), CH/HC (20.8%) and OH/HO (17.7%).