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4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile
In the title benzonitrile compound, C(12)H(11)F(3)N(2)O, an intramolecular C—H⋯F hydrogen bond generates an S(7) ring motif. The trifluoromethyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The b...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151857/ https://www.ncbi.nlm.nih.gov/pubmed/21837008 http://dx.doi.org/10.1107/S1600536811020666 |
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author | Fun, Hoong-Kun Asik, Safra Izuani Jama Kumar, Rajesha Isloor, Arun M. Shivananda, K. N. |
author_facet | Fun, Hoong-Kun Asik, Safra Izuani Jama Kumar, Rajesha Isloor, Arun M. Shivananda, K. N. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title benzonitrile compound, C(12)H(11)F(3)N(2)O, an intramolecular C—H⋯F hydrogen bond generates an S(7) ring motif. The trifluoromethyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, molecules are connected by intermolecular C—H⋯F and C—H⋯O interactions to form R (2) (2)(8) ring motifs. These interactions also link the molecules into chains parallel to the [10[Image: see text]] direction. |
format | Online Article Text |
id | pubmed-3151857 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31518572011-08-11 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile Fun, Hoong-Kun Asik, Safra Izuani Jama Kumar, Rajesha Isloor, Arun M. Shivananda, K. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title benzonitrile compound, C(12)H(11)F(3)N(2)O, an intramolecular C—H⋯F hydrogen bond generates an S(7) ring motif. The trifluoromethyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, molecules are connected by intermolecular C—H⋯F and C—H⋯O interactions to form R (2) (2)(8) ring motifs. These interactions also link the molecules into chains parallel to the [10[Image: see text]] direction. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151857/ /pubmed/21837008 http://dx.doi.org/10.1107/S1600536811020666 Text en © Fun et al. 2011 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 Fun, Hoong-Kun Asik, Safra Izuani Jama Kumar, Rajesha Isloor, Arun M. Shivananda, K. N. 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
title | 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
title_full | 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
title_fullStr | 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
title_full_unstemmed | 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
title_short | 4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
title_sort | 4-(morpholin-4-yl)-3-(trifluoromethyl)benzonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151857/ https://www.ncbi.nlm.nih.gov/pubmed/21837008 http://dx.doi.org/10.1107/S1600536811020666 |
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