Crystal structure analysis of [5-(4-meth-oxy-phen-yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio-phen-2-yl)methanone.

ABSTRACT: The title compound, C₁₅H₁₃N₃O₂S, crystallizes in the monoclinic space group P2₁/n and its mol-ecular conformation is stabilized via intra-molecular C-H⋯O and C-H⋯N contacts. The supra-molecular structure is mainly governed by C-H⋯N hydrogen-bonded centrosymmetric dimers, C-H⋯O and C-H⋯S hydrogen bonds and S⋯π and π-π stacking inter-actions which, together, lead to the formation of a layered crystal packing. The inter-molecular inter-actions were further evaluated through the mol-ecular electrostatic potential map and Hirshfeld fingerprint analysis.

SUBMITTER: Bhandary S 

PROVIDER: S-EPMC6073004 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature