{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 11)"],"submitter":["Herrera-Gonzalez AM"],"pubmed_abstract":["The title mol-ecule, C(27)H(31)NO(7), an imine derivative bearing both carbonate and allyl functionalities, was synthesized in the hope of obtaining a mesogenic polymerizable material. The allyl-carbonate arms are fully disordered over two sets of sites, reflecting a large degree of rotational freedom about σ bonds [occupancies: 0.665 (9)/0.335 (9) for one substituent, 0.564 (9)/0.436 (9) for the other]. In contrast, the hexyl chain is ordered, and presents the common all-trans extended conformation. The benzene rings connected via the imine group make a dihedral angle of 9.64 (11)°. In the crystal, the Y-shaped mol-ecules are weakly associated into centrosymmetric dimers through pairs of C-H⋯O(hex-yl) contacts. The resulting layers of dimers, approximately parallel to (25), are closely pa"],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2810-1"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2971017"],"repository":["biostudies-literature"],"pubmed_title":["Diallyl 5-[(4-hexyl-oxyphen-yl)imino-meth-yl]-m-phenyl-ene dicarbonate."],"pmcid":["PMC2971017"],"pubmed_authors":["Herrera-Gonzalez AM","Bernes S","Lopez-Velazquez D"],"additional_accession":[]},"is_claimable":false,"name":"Diallyl 5-[(4-hexyl-oxyphen-yl)imino-meth-yl]-m-phenyl-ene dicarbonate.","description":"The title mol-ecule, C(27)H(31)NO(7), an imine derivative bearing both carbonate and allyl functionalities, was synthesized in the hope of obtaining a mesogenic polymerizable material. The allyl-carbonate arms are fully disordered over two sets of sites, reflecting a large degree of rotational freedom about σ bonds [occupancies: 0.665 (9)/0.335 (9) for one substituent, 0.564 (9)/0.436 (9) for the other]. In contrast, the hexyl chain is ordered, and presents the common all-trans extended conformation. The benzene rings connected via the imine group make a dihedral angle of 9.64 (11)°. In the crystal, the Y-shaped mol-ecules are weakly associated into centrosymmetric dimers through pairs of C-H⋯O(hex-yl) contacts. The resulting layers of dimers, approximately parallel to (25), are closely pa","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Oct","modification":"2025-04-18T19:29:11.83Z","creation":"2019-03-27T00:00:15Z"},"accession":"S-EPMC2971017","cross_references":{"pubmed":["21578402"],"doi":["10.1107/S1600536809041142"]}}