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Crystal structure and Hirshfeld surface analysis of N-{[5-(4-methyl-phen-yl)-1,2-oxazol-3-yl]meth-yl}-1-phenyl-N-(prop-2-en-1-yl)methane-sulfonamide.
Khrustalev, Victor N; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A; Potkin, Vladimir I; Mlowe, Sixberth.
Afiliação
  • Khrustalev VN; Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., 117198, Moscow, Russian Federation.
  • Çelikesir ST; N. D. Zelinsky Institute of Organic Chemistry, 119991 Moscow, Leninsky prosp. 47, Russian Federation.
  • Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
  • Kolesnik IA; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
  • Potkin VI; Laboratory of the Chemistry of Heterocyclic Compounds, Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13, Surganov Str., 220072, Minsk, Belarus.
  • Mlowe S; Laboratory of the Chemistry of Heterocyclic Compounds, Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13, Surganov Str., 220072, Minsk, Belarus.
Acta Crystallogr E Crystallogr Commun ; 78(Pt 6): 603-607, 2022 Jun 01.
Article em En | MEDLINE | ID: mdl-36072140
ABSTRACT
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, mol-ecules are linked by C-H⋯O hydrogen bonds, generating a three-dimensional network. A Hirshfeld surface analysis was performed to investigate the contributions of the different inter-molecular contacts within the supra-molecular structure. The major inter-actions are H⋯H (53.6%), C⋯H/H⋯C (20.8%) and O⋯H/H⋯O (17.7%).
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Ano de publicação: 2022 Tipo de documento: Article