Dataset Information
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.
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ABSTRACT:
SUBMITTER: Gainsford GJ
PROVIDER: S-EPMC2972047 | biostudies-literature | 2009 Nov
REPOSITORIES: biostudies-literature
Publications
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.
Acta crystallographica. Section E, Structure reports online 20091128 Pt 12
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 ...[more]