Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)meth-yl]-3-methyl-quinoxalin-2(1H)-one.

ABSTRACT: The title compound, C₁₆H₁₉N₅O, is built up from a planar quinoxalinone ring system linked through a methyl-ene bridge to a 1,2,3-triazole ring, which in turn carries an n-butyl substituent. The triazole ring is inclined by 67.09 (4)° to the quinoxalinone ring plane. In the crystal, the mol-ecules form oblique stacks along the a-axis direction through inter-molecular C-H_Trz⋯N_Trz (Trz = triazole) hydrogen bonds, and offset π-stacking inter-actions between quinoxalinone rings [centroid-centroid distance = 3.9107 (9) Å] and π-π inter-actions, which are associated pairwise by inversion-related C-H_Dhydqn⋯π(ring) (Dhydqn = di-hydro-quinoxaline) inter-actions. The Hirshfeld surface analysis of the crystal structure ind

SUBMITTER: Abad N 

PROVIDER: S-EPMC6281099 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature