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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Atıf İçin Kopyala

Khrustalev V. N., TÜRKTEKİN ÇELİKESİR S., AKKURT M., Kolesnik I. A., Potkin V., Mlowe S.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.603-613, 2022 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 78
• Basım Tarihi: 2022
• Doi Numarası: 10.1107/s2056989022005035
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.603-613
• Anahtar Kelimeler: crystal structure, the 1,2-oxazole ring, hydrogen bonds, Hirshfeld surface, ISOXAZOLE
• Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C21H22N2O3S, the 1,2-oxazole ring makes the dihedral angles of 9.16 (16) and 87.91 (17)degrees, respectively, with the toluene and phenyl rings, while they form a dihedral angle of 84.42 (15)degrees with each other. The C-S-N-C-pr and C-S-N-C-me (pr = propene, me = 3-methyl-1,2-oxazole) torsion angles are 86.8 (2) and -100.6 (3)degrees, respectively. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds, generating a threedimensional network. A Hirshfeld surface analysis was performed to investigate the contributions of the different intermolecular contacts within the supramolecular structure. The major interactions are H center dot center dot center dot H (53.6%), C center dot center dot center dot H/H center dot center dot center dot C (20.8%) and O center dot center dot center dot H/H center dot center dot center dot O (17.7%).