{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 12)"],"submitter":["Gainsford GJ"],"pubmed_abstract":["The title compound, C(42)H(36)N(4)O(5)·0.25CH(3)CN, crystallizes with a partial twofold disordered (1/4) acetonitrile solvent of crystallization. The linking atoms to the 3,5-bis-(benz-yloxy)benzoic acid are disordered between two conformations in the ratio 0.780 (6):0.220 (6). In the crystal, the mol-ecules pack using mainly C-H⋯N(cyano) inter-actions coupled with weak C-H⋯O(ether) inter-actions and C-H⋯π inter-actions. A brief comparison is made between a conventional and this synchrotron data collection."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3261-2"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2972047"],"repository":["biostudies-literature"],"pubmed_title":["5-(4-Cyano-5-dicyano-methyl-ene-2,2-dimethyl-2,5-dihydro-3-fur-yl)-3-(1-methyl-1,4-dihydro-pyridin-4-yl-idene)pent-4-enyl 3,5-bis-(benz-yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study."],"pmcid":["PMC2972047"],"pubmed_authors":["Gainsford GJ","Bhuiyan MD","Kay AJ"],"additional_accession":[]},"is_claimable":false,"name":"5-(4-Cyano-5-dicyano-methyl-ene-2,2-dimethyl-2,5-dihydro-3-fur-yl)-3-(1-methyl-1,4-dihydro-pyridin-4-yl-idene)pent-4-enyl 3,5-bis-(benz-yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study.","description":"The title compound, C(42)H(36)N(4)O(5)·0.25CH(3)CN, crystallizes with a partial twofold disordered (1/4) acetonitrile solvent of crystallization. The linking atoms to the 3,5-bis-(benz-yloxy)benzoic acid are disordered between two conformations in the ratio 0.780 (6):0.220 (6). In the crystal, the mol-ecules pack using mainly C-H⋯N(cyano) inter-actions coupled with weak C-H⋯O(ether) inter-actions and C-H⋯π inter-actions. A brief comparison is made between a conventional and this synchrotron data collection.","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Nov","modification":"2025-04-04T21:04:39.143Z","creation":"2019-03-27T00:36:19Z"},"accession":"S-EPMC2972047","cross_references":{"pubmed":["21578957"],"doi":["10.1107/S1600536809050430"]}}