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

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, C42H36N4O5·0.25CH3CN, 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&#81...

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Main Authors: Andrew J. Kay, M. Delower H. Bhuiyan, Graeme J. Gainsford
Format: Article
Language:English
Published: International Union of Crystallography 2009-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809050430
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spelling doaj-bb84c2c150f2409db92a8dce797721812020-11-24T21:55:29ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512o3261o326210.1107/S16005368090504305-(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 studyAndrew J. KayM. Delower H. BhuiyanGraeme J. GainsfordThe title compound, C42H36N4O5·0.25CH3CN, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809050430
collection DOAJ
language English
format Article
sources DOAJ
author Andrew J. Kay
M. Delower H. Bhuiyan
Graeme J. Gainsford
spellingShingle Andrew J. Kay
M. Delower H. Bhuiyan
Graeme J. Gainsford
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
Acta Crystallographica Section E
author_facet Andrew J. Kay
M. Delower H. Bhuiyan
Graeme J. Gainsford
author_sort Andrew J. Kay
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_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_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_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
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-12-01
description The title compound, C42H36N4O5·0.25CH3CN, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809050430
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AT mdelowerhbhuiyan 54cyano5dicyanomethylene22dimethyl25dihydro3furyl31methyl14dihydropyridin4ylidenepent4enyl35bisbenzyloxybenzoateacetonitrile025solvateasynchrotronradiationstudy
AT graemejgainsford 54cyano5dicyanomethylene22dimethyl25dihydro3furyl31methyl14dihydropyridin4ylidenepent4enyl35bisbenzyloxybenzoateacetonitrile025solvateasynchrotronradiationstudy
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