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2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate
In the title compound, C(22)H(22)N(4)O(2)·0.25C(3)H(6)O, the disordered acetone molecule lies with partial occupancy about the 2 axis. The molecule of the malononitrile derivative is essentially planar excluding the methyl groups, with the largest deviation from the mean plane through the non-H at...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470352/ https://www.ncbi.nlm.nih.gov/pubmed/23125765 http://dx.doi.org/10.1107/S1600536812039736 |
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author | Gainsford, Graeme J. Ashraf, Mohamed Kay, Andrew J. |
author_facet | Gainsford, Graeme J. Ashraf, Mohamed Kay, Andrew J. |
author_sort | Gainsford, Graeme J. |
collection | PubMed |
description | In the title compound, C(22)H(22)N(4)O(2)·0.25C(3)H(6)O, the disordered acetone molecule lies with partial occupancy about the 2 axis. The molecule of the malononitrile derivative is essentially planar excluding the methyl groups, with the largest deviation from the mean plane through the non-H atoms being 0.1955 (13) Å. Two rotamers with different orientations of the benzene ring are observed in the ratio of 0.919 (2):0.081 (2), and as a result the OH group is disordered over two sets of sites. In the crystal, the molecules form ribbons along (101) utilizing a strong O—H⋯N(cyano) hydrogen bond. Interleaving of the nearly planar ribbons is provided by the twofold disordered acetone molecule through C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-3470352 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34703522012-11-02 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate Gainsford, Graeme J. Ashraf, Mohamed Kay, Andrew J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(22)N(4)O(2)·0.25C(3)H(6)O, the disordered acetone molecule lies with partial occupancy about the 2 axis. The molecule of the malononitrile derivative is essentially planar excluding the methyl groups, with the largest deviation from the mean plane through the non-H atoms being 0.1955 (13) Å. Two rotamers with different orientations of the benzene ring are observed in the ratio of 0.919 (2):0.081 (2), and as a result the OH group is disordered over two sets of sites. In the crystal, the molecules form ribbons along (101) utilizing a strong O—H⋯N(cyano) hydrogen bond. Interleaving of the nearly planar ribbons is provided by the twofold disordered acetone molecule through C—H⋯O interactions. International Union of Crystallography 2012-09-26 /pmc/articles/PMC3470352/ /pubmed/23125765 http://dx.doi.org/10.1107/S1600536812039736 Text en © Gainsford et al. 2012 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. Ashraf, Mohamed Kay, Andrew J. 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
title | 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
title_full | 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
title_fullStr | 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
title_full_unstemmed | 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
title_short | 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
title_sort | 2-{3-cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470352/ https://www.ncbi.nlm.nih.gov/pubmed/23125765 http://dx.doi.org/10.1107/S1600536812039736 |
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