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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, C(21)H(22)N(2)O(3)S, 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—C(pr) and C—S—N—C(me) (pr = propene, me = 3-methyl-1,2-...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431795/ https://www.ncbi.nlm.nih.gov/pubmed/36072140 http://dx.doi.org/10.1107/S2056989022005035 |
Sumario: | In the title compound, C(21)H(22)N(2)O(3)S, 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—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) °, respectively. In the crystal, molecules 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 intermolecular contacts within the supramolecular structure. The major interactions are H⋯H (53.6%), C⋯H/H⋯C (20.8%) and O⋯H/H⋯O (17.7%). |
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