5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study

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(benz­yloxy)benzoic acid are disordered between two conformations in the ratio 0.780 (6):0.220 (6). In the crystal, the m...

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Detalles Bibliográficos
Autores principales: Gainsford, Graeme J., Bhuiyan, M. Delower H., Kay, Andrew J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972047/
https://www.ncbi.nlm.nih.gov/pubmed/21578957
http://dx.doi.org/10.1107/S1600536809050430
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author Gainsford, Graeme J.
Bhuiyan, M. Delower H.
Kay, Andrew J.
author_facet Gainsford, Graeme J.
Bhuiyan, M. Delower H.
Kay, Andrew J.
author_sort Gainsford, Graeme J.
collection PubMed
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(benz­yloxy)benzoic acid are disordered between two conformations in the ratio 0.780 (6):0.220 (6). In the crystal, the mol­ecules pack using mainly C—H⋯N(cyano) inter­actions coupled with weak C—H⋯O(ether) inter­actions and C—H⋯π inter­actions. A brief comparison is made between a conventional and this synchrotron data collection.
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spelling pubmed-29720472010-12-30 5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study Gainsford, Graeme J. Bhuiyan, M. Delower H. Kay, Andrew J. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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(benz­yloxy)benzoic acid are disordered between two conformations in the ratio 0.780 (6):0.220 (6). In the crystal, the mol­ecules pack using mainly C—H⋯N(cyano) inter­actions coupled with weak C—H⋯O(ether) inter­actions and C—H⋯π inter­actions. A brief comparison is made between a conventional and this synchrotron data collection. International Union of Crystallography 2009-11-28 /pmc/articles/PMC2972047/ /pubmed/21578957 http://dx.doi.org/10.1107/S1600536809050430 Text en © Gainsford et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Gainsford, Graeme J.
Bhuiyan, M. Delower H.
Kay, Andrew J.
5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
title 5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
title_full 5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
title_fullStr 5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
title_full_unstemmed 5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
title_short 5-(4-Cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
title_sort 5-(4-cyano-5-dicyano­methyl­ene-2,2-dimethyl-2,5-dihydro-3-fur­yl)-3-(1-methyl-1,4-dihydro­pyridin-4-yl­idene)pent-4-enyl 3,5-bis­(benz­yloxy)benzoate acetonitrile 0.25-solvate: a synchrotron radiation study
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972047/
https://www.ncbi.nlm.nih.gov/pubmed/21578957
http://dx.doi.org/10.1107/S1600536809050430
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