<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>65(Pt 12)</volume><submitter>Gainsford GJ</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o3261-2</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2972047</full_dataset_link><repository>biostudies-literature</repository><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.</pubmed_title><pmcid>PMC2972047</pmcid><pubmed_authors>Gainsford GJ</pubmed_authors><pubmed_authors>Bhuiyan MD</pubmed_authors><pubmed_authors>Kay AJ</pubmed_authors></additional><is_claimable>false</is_claimable><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.</name><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.</description><dates><release>2009-01-01T00:00:00Z</release><publication>2009 Nov</publication><modification>2025-04-04T21:04:39.143Z</modification><creation>2019-03-27T00:36:19Z</creation></dates><accession>S-EPMC2972047</accession><cross_references><pubmed>21578957</pubmed><doi>10.1107/S1600536809050430</doi></cross_references></HashMap>