<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Saber A</submitter><funding>Tulane University</funding><funding>Hacettepe University Scientific Research Project Unit</funding><pagination>1746-1750</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC6281105</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>74(Pt 12)</volume><pubmed_abstract>In the title compound, C21H20N4O2, the intra-molecular C-H⋯O hydrogen-bonded benzo-diazo-lone 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 inter-molecular 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%) inter-actions.</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pubmed_title>Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-1-yl]meth-yl}-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-2-one.</pubmed_title><pmcid>PMC6281105</pmcid><funding_grant_id>013 D04 602 004</funding_grant_id><pubmed_authors>Hokelek T</pubmed_authors><pubmed_authors>Essassi EM</pubmed_authors><pubmed_authors>Sebbar NK</pubmed_authors><pubmed_authors>Saber A</pubmed_authors><pubmed_authors>Mague JT</pubmed_authors><pubmed_authors>Hni B</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-1-yl]meth-yl}-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzo-diazol-2-one.</name><description>In the title compound, C21H20N4O2, the intra-molecular C-H⋯O hydrogen-bonded benzo-diazo-lone 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 inter-molecular 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%) inter-actions.</description><dates><release>2018-01-01T00:00:00Z</release><publication>2018 Dec</publication><modification>2025-04-05T00:31:43.464Z</modification><creation>2019-03-27T00:13:26Z</creation></dates><accession>S-EPMC6281105</accession><cross_references><pubmed>30574367</pubmed><doi>10.1107/S2056989018015219</doi></cross_references></HashMap>