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...
Main Authors: | , , |
---|---|
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 |
id |
doaj-d38460fb9f314e95bfc036c41d9e9b53 |
---|---|
record_format |
Article |
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 |
work_keys_str_mv |
AT graemejgainsford 23cyano4312hydroxyethyl33dimethyl13dihydroindol2ylideneprop2enyl55dimethyl5hfuran2ylidenemalononitrile AT mdelowerhbhuiyan 23cyano4312hydroxyethyl33dimethyl13dihydroindol2ylideneprop2enyl55dimethyl5hfuran2ylidenemalononitrile AT andrewjkay 23cyano4312hydroxyethyl33dimethyl13dihydroindol2ylideneprop2enyl55dimethyl5hfuran2ylidenemalononitrile |
_version_ |
1724925626696073216 |