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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.

Victor N KhrustalevSevim Türktekin ÇelikesirMehmet AkkurtIrina A KolesnikVladimir I PotkinSixberth Mlowe
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
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, 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%).
Keyphrases
  • crystal structure
  • single molecule