2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile

The title compound, C25H24N4O2, adopts a cisoid configuration and has twofold orientational disorder of the 2-hydroxyethyl group. The molecule is twisted from planarity so that the dihedral angle between the terminating indol-2-ylidene and the furan-2-ylidene moiety mean planes is 12.75 (7)°. Confor...

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Main Authors: Graeme J. Gainsford, M. Delower H. Bhuiyan, Andrew J. Kay
Format: Article
Language:English
Published: International Union of Crystallography 2014-01-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813033242
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spelling doaj-d38460fb9f314e95bfc036c41d9e9b532020-11-25T02:08:45ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-01-01701o45o4610.1107/S1600536813033242pk25072-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrileGraeme J. Gainsford0M. Delower H. Bhuiyan1Andrew J. Kay2Callaghan Innovation, PO Box 31-310, Lower Hutt, New ZealandCallaghan Innovation, PO Box 31-310, Lower Hutt, New ZealandCallaghan Innovation, PO Box 31-310, Lower Hutt, New ZealandThe title compound, C25H24N4O2, adopts a cisoid configuration and has twofold orientational disorder of the 2-hydroxyethyl group. The molecule is twisted from planarity so that the dihedral angle between the terminating indol-2-ylidene and the furan-2-ylidene moiety mean planes is 12.75 (7)°. Conformational disorder occurs at the indol-2-ylidene N atom, which results in two orientations for the hydroxyethyl group [occupancy ratio = 0.896 (2):0.104 (2)], and the hydroxy O atom of the 2-hydroxyethyl group is located over three sites [occupancy ratio = 0.548 (2):0.348 (2):0.104 (2)]. An intramolecular C—H...O hydrogen bond involving the lowest occupancy hydroxy O atom is observed. In the crystal, the molecules pack in parallel dimeric sheets about centres of symmetry, utilizing O—H...N(cyano), C—H...N(cyano) and O—H...O hydrogen bonds, in two sets parallel to (02-1) and (021) planes.http://scripts.iucr.org/cgi-bin/paper?S1600536813033242
collection DOAJ
language English
format Article
sources DOAJ
author Graeme J. Gainsford
M. Delower H. Bhuiyan
Andrew J. Kay
spellingShingle Graeme J. Gainsford
M. Delower H. Bhuiyan
Andrew J. Kay
2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
Acta Crystallographica Section E
author_facet Graeme J. Gainsford
M. Delower H. Bhuiyan
Andrew J. Kay
author_sort Graeme J. Gainsford
title 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
title_short 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
title_full 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
title_fullStr 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
title_full_unstemmed 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
title_sort 2-(3-cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5h-furan-2-ylidene)malononitrile
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-01-01
description The title compound, C25H24N4O2, adopts a cisoid configuration and has twofold orientational disorder of the 2-hydroxyethyl group. The molecule is twisted from planarity so that the dihedral angle between the terminating indol-2-ylidene and the furan-2-ylidene moiety mean planes is 12.75 (7)°. Conformational disorder occurs at the indol-2-ylidene N atom, which results in two orientations for the hydroxyethyl group [occupancy ratio = 0.896 (2):0.104 (2)], and the hydroxy O atom of the 2-hydroxyethyl group is located over three sites [occupancy ratio = 0.548 (2):0.348 (2):0.104 (2)]. An intramolecular C—H...O hydrogen bond involving the lowest occupancy hydroxy O atom is observed. In the crystal, the molecules pack in parallel dimeric sheets about centres of symmetry, utilizing O—H...N(cyano), C—H...N(cyano) and O—H...O hydrogen bonds, in two sets parallel to (02-1) and (021) planes.
url http://scripts.iucr.org/cgi-bin/paper?S1600536813033242
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AT mdelowerhbhuiyan 23cyano4312hydroxyethyl33dimethyl13dihydroindol2ylideneprop2enyl55dimethyl5hfuran2ylidenemalononitrile
AT andrewjkay 23cyano4312hydroxyethyl33dimethyl13dihydroindol2ylideneprop2enyl55dimethyl5hfuran2ylidenemalononitrile
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