{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Saber A"],"funding":["Tulane University","Hacettepe University Scientific Research Project Unit"],"pagination":["1746-1750"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6281105"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["74(Pt 12)"],"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."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"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."],"pmcid":["PMC6281105"],"funding_grant_id":["013 D04 602 004"],"pubmed_authors":["Hokelek T","Essassi EM","Sebbar NK","Saber A","Mague JT","Hni B"],"additional_accession":[]},"is_claimable":false,"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.","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.","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Dec","modification":"2025-04-05T00:31:43.464Z","creation":"2019-03-27T00:13:26Z"},"accession":"S-EPMC6281105","cross_references":{"pubmed":["30574367"],"doi":["10.1107/S2056989018015219"]}}