Cargando…
1-(3-p-Tolylisoxazol-5-yl)cyclohexanol
The title compound, C(16)H(19)NO(2), contains two molecules in the asymmetric unit. Each molecule is composed of three interconnected rings, two essentially planar rings, viz. the isoxazole and the methylbenzyl aromatic ring [maximum deviations of 0.0027 (13) and 0.0031 (19) Å from the isoxazole...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972041/ https://www.ncbi.nlm.nih.gov/pubmed/21578712 http://dx.doi.org/10.1107/S1600536809044900 |
_version_ | 1782190730187374592 |
---|---|
author | Khalil, Ouafaa Bougrin, Khalid Benhida, Rachid Soufiaoui, Mohamed Ammari, Lahcen El |
author_facet | Khalil, Ouafaa Bougrin, Khalid Benhida, Rachid Soufiaoui, Mohamed Ammari, Lahcen El |
author_sort | Khalil, Ouafaa |
collection | PubMed |
description | The title compound, C(16)H(19)NO(2), contains two molecules in the asymmetric unit. Each molecule is composed of three interconnected rings, two essentially planar rings, viz. the isoxazole and the methylbenzyl aromatic ring [maximum deviations of 0.0027 (13) and 0.0031 (19) Å from the isoxazole and methylbenzyl ring planes, respectively, in the first molecule, 0.0018 (12) and 0.019 (2) Å in the second molecule], and one cyclohexanol ring having a chair conformation. Although the two molecules have similar bond distances and angles, they differ in the orientation of the cyclohexanol ring with respect to the tolylisoxazole unit. In the first molecule, the dihedral angle between the isoxazole and methylbenzyl rings is 22.03 (8)° and between the isoxazole and cyclohexanol rings is 30.15 (8)°. The corresponding values in the second molecule are 6.13 (10) and 88.44 (8)°, respectively. In the crystal, the molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, building up a zigzag chain parallel to the a axis. |
format | Text |
id | pubmed-2972041 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29720412010-12-30 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol Khalil, Ouafaa Bougrin, Khalid Benhida, Rachid Soufiaoui, Mohamed Ammari, Lahcen El Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(19)NO(2), contains two molecules in the asymmetric unit. Each molecule is composed of three interconnected rings, two essentially planar rings, viz. the isoxazole and the methylbenzyl aromatic ring [maximum deviations of 0.0027 (13) and 0.0031 (19) Å from the isoxazole and methylbenzyl ring planes, respectively, in the first molecule, 0.0018 (12) and 0.019 (2) Å in the second molecule], and one cyclohexanol ring having a chair conformation. Although the two molecules have similar bond distances and angles, they differ in the orientation of the cyclohexanol ring with respect to the tolylisoxazole unit. In the first molecule, the dihedral angle between the isoxazole and methylbenzyl rings is 22.03 (8)° and between the isoxazole and cyclohexanol rings is 30.15 (8)°. The corresponding values in the second molecule are 6.13 (10) and 88.44 (8)°, respectively. In the crystal, the molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, building up a zigzag chain parallel to the a axis. International Union of Crystallography 2009-11-04 /pmc/articles/PMC2972041/ /pubmed/21578712 http://dx.doi.org/10.1107/S1600536809044900 Text en © Khalil et al. 2009 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 Khalil, Ouafaa Bougrin, Khalid Benhida, Rachid Soufiaoui, Mohamed Ammari, Lahcen El 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol |
title | 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol |
title_full | 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol |
title_fullStr | 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol |
title_full_unstemmed | 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol |
title_short | 1-(3-p-Tolylisoxazol-5-yl)cyclohexanol |
title_sort | 1-(3-p-tolylisoxazol-5-yl)cyclohexanol |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972041/ https://www.ncbi.nlm.nih.gov/pubmed/21578712 http://dx.doi.org/10.1107/S1600536809044900 |
work_keys_str_mv | AT khalilouafaa 13ptolylisoxazol5ylcyclohexanol AT bougrinkhalid 13ptolylisoxazol5ylcyclohexanol AT benhidarachid 13ptolylisoxazol5ylcyclohexanol AT soufiaouimohamed 13ptolylisoxazol5ylcyclohexanol AT ammarilahcenel 13ptolylisoxazol5ylcyclohexanol |