{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["80(Pt 9)"],"submitter":["Abad N"],"pubmed_abstract":["In the title mol-ecule, C<sub>25</sub>H<sub>29</sub>N<sub>5</sub>O, the di-hydro-quinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the mol-ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol-ecules are associated through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and C=O⋯π(ring) inter-actions, forming thick layers parallel to the <i>bc</i> plane and with the <i>n</i>-octyl groups on the outside surfaces."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["936-941"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11389679"],"repository":["biostudies-literature"],"pubmed_title":["Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-di-hydro-quinoxalin-2(1<i>H</i>)-one."],"pmcid":["PMC11389679"],"pubmed_authors":["Ramli Y","Essassi EM","Kalonji Mubengayi C","Mague JT","Abad N","Alsubari A"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-di-hydro-quinoxalin-2(1<i>H</i>)-one.","description":"In the title mol-ecule, C<sub>25</sub>H<sub>29</sub>N<sub>5</sub>O, the di-hydro-quinoxaline unit is not quite planar (r.m.s. deviation = 0.030 Å) as there is a dihedral angle of 2.69 (3)° between the mean planes of the constituent rings and the mol-ecule adopts a hairpin conformation. In the crystal, the polar portions of the mol-ecules are associated through C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) and C=O⋯π(ring) inter-actions, forming thick layers parallel to the <i>bc</i> plane and with the <i>n</i>-octyl groups on the outside surfaces.","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Sep","modification":"2026-05-27T03:15:36.399Z","creation":"2025-04-06T22:13:55.35Z"},"accession":"S-EPMC11389679","cross_references":{"pubmed":["39267873"],"doi":["10.1107/S2056989024007746"]}}