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...

Descripción completa

Detalles Bibliográficos
Autores principales: Khalil, Ouafaa, Bougrin, Khalid, Benhida, Rachid, Soufiaoui, Mohamed, Ammari, Lahcen El
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