{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Zouhair M"],"funding":["Tulane University","Hacettepe University Scientific Research Project Unit"],"pagination":["1179-1182"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10833399"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["79(Pt 12)"],"pubmed_abstract":["The title mol-ecule, C<sub>29</sub>H<sub>44</sub>N<sub>8</sub>O, adopts a conformation resembling a two-bladed fan with the octyl chains largely in fully extended conformations. In the crystal, C-H⋯O hydrogen bonds form chains of mol-ecules extending along the <i>b</i>-axis direction, which are linked by weak C-H⋯N hydrogen bonds and C-H⋯π inter-actions to generate a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (68.3%), H⋯N/N⋯H (15.7%) and H⋯C/C⋯H (10.4%) inter-actions."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pubmed_title":["Synthesis, structure and Hirshfeld surface analysis of 1,3-bis-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)meth-yl]-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one."],"pmcid":["PMC10833399"],"funding_grant_id":["013 D04 602 004"],"pubmed_authors":["Abchihi H","Hokelek T","El Ghayati L","Zouhair M","El Monfalouti H","Sebbar NK","Ahmed M","Mague JT"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis, structure and Hirshfeld surface analysis of 1,3-bis-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)meth-yl]-1<i>H</i>-benzo[<i>d</i>]imidazol-2(3<i>H</i>)-one.","description":"The title mol-ecule, C<sub>29</sub>H<sub>44</sub>N<sub>8</sub>O, adopts a conformation resembling a two-bladed fan with the octyl chains largely in fully extended conformations. In the crystal, C-H⋯O hydrogen bonds form chains of mol-ecules extending along the <i>b</i>-axis direction, which are linked by weak C-H⋯N hydrogen bonds and C-H⋯π inter-actions to generate a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (68.3%), H⋯N/N⋯H (15.7%) and H⋯C/C⋯H (10.4%) inter-actions.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Dec","modification":"2026-07-14T19:01:13.236Z","creation":"2025-04-06T13:48:35.644Z"},"accession":"S-EPMC10833399","cross_references":{"pubmed":["38313122"],"doi":["10.1107/S2056989023009891"]}}