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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...

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Autores principales: Fun, Hoong-Kun, Asik, Safra Izuani Jama, Kumar, Rajesha, Isloor, Arun M., Shivananda, K. N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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