{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["74(Pt 12)"],"submitter":["Kansiz S"],"pubmed_abstract":["The title Schiff base compound, C22H28ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intra-molecular O-H⋯N hydrogen bond present forming an S(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯π inter-actions, generating a three-dimensional supra-molecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (68.9%) and C⋯H/H⋯C (11.7%) inter-actions."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["1887-1890"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6281108"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl-phenyl-imino)-meth-yl]phenol."],"pmcid":["PMC6281108"],"pubmed_authors":["Kansiz S","Pavlenko VA","Dege N","Macit M"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure and Hirshfeld surface analysis of (E)-2,4-di-tert-butyl-6-[(3-chloro-4-methyl-phenyl-imino)-meth-yl]phenol.","description":"The title Schiff base compound, C22H28ClNO, shows mirror symmetry with all its non-H atoms, except the tert-butyl groups, located on the mirror plane. There is an intra-molecular O-H⋯N hydrogen bond present forming an S(6) ring motif. In the crystal, the mol-ecules are connected by C-H⋯π inter-actions, generating a three-dimensional supra-molecular structure. Hirshfeld surface analysis and two dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (68.9%) and C⋯H/H⋯C (11.7%) inter-actions.","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Dec","modification":"2025-04-05T00:31:44.672Z","creation":"2019-03-27T00:13:26Z"},"accession":"S-EPMC6281108","cross_references":{"pubmed":["30574394"],"doi":["10.1107/S2056989018016377"]}}