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

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%). © 2022 Khrustalev et al.

Авторы
Khrustalev V.N. , Çelikesir S.T. , Akkurt M. , Kolesnik I.A. , Potkin V.I. , Mlowe S. , Reibenspies J.
Издательство
International Union of Crystallography
Номер выпуска
Pt 6
Язык
Английский
Страницы
603-607
Статус
Опубликовано
Том
78
Год
2022
Организации
  • 1 Peoples' Friendship University of Russia, RUDN University, 6 Miklukho-Maklaya St., Moscow, 117198, Russian Federation
  • 2 N. D. Zelinsky Institute of Organic Chemistry, Leninsky prosp. 47, Moscow, 119991, Russian Federation
  • 3 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 4 Laboratory of the Chemistry of Heterocyclic Compounds, Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13, Surganov Str., Minsk, 220072, Belarus
  • 5 University of Dar es Salaam, Dar es Salaam University College of Education, Department of Chemistry, PO Box 2329, Dar es Salaam, Tanzania
  • 6 Texas A & M University, United States
Ключевые слова
crystal structure; Hirshfeld surface; hydrogen bonds; the 1,2-oxazole ring
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