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Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one.

ABSTRACT: In the title compound, C21H20N4O2, the intramolecular C—H?O hydrogen-bonded benzodiazolone moieties are planar to within 0.017?(1) and 0.026?(1)?Å, and are oriented at a dihedral angle of 57.35?(3)°. In the crystal, two sets of intermolecular C—H?O hydrogen bonds generate layers parallel to the bc plane. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H?H (51.8%), H?C/C?H (30.7%) and H?O/O?H (11.2%) interactions.

SUBMITTER: Saber A

PROVIDER: S-EPMC6281105 | biostudies-other | 2018 Dec

REPOSITORIES: biostudies-other

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