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Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone
The title compound, C(13)H(16)ClNO(2), crystallized with two independent molecules in the asymmetric unit (A and B). The piperidinol ring in molecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both molecules these rings have a chair conformation, inc...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647401/ https://www.ncbi.nlm.nih.gov/pubmed/26594432 http://dx.doi.org/10.1107/S2056989015016096 |
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author | Revathi, B. K. Reuben Jonathan, D. Kalai Sevi, K. Dhanalakshmi, K. Usha, G. |
author_facet | Revathi, B. K. Reuben Jonathan, D. Kalai Sevi, K. Dhanalakshmi, K. Usha, G. |
author_sort | Revathi, B. K. |
collection | PubMed |
description | The title compound, C(13)H(16)ClNO(2), crystallized with two independent molecules in the asymmetric unit (A and B). The piperidinol ring in molecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both molecules these rings have a chair conformation, including the minor component in molecule B. Their mean planes are inclined to the benzene ring by 45.57 (13)° in molecule A, and by 50.5 (4)° for the major component of the piperidine ring in molecule B. In the crystal, the individual molecules are linked by O—H⋯O hydrogen bonds, forming chains of A and B molecules along the [100] direction. The chains are interlinked by C—H⋯O hydrogen bonds, forming ribbons. |
format | Online Article Text |
id | pubmed-4647401 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474012015-11-20 Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone Revathi, B. K. Reuben Jonathan, D. Kalai Sevi, K. Dhanalakshmi, K. Usha, G. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(13)H(16)ClNO(2), crystallized with two independent molecules in the asymmetric unit (A and B). The piperidinol ring in molecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both molecules these rings have a chair conformation, including the minor component in molecule B. Their mean planes are inclined to the benzene ring by 45.57 (13)° in molecule A, and by 50.5 (4)° for the major component of the piperidine ring in molecule B. In the crystal, the individual molecules are linked by O—H⋯O hydrogen bonds, forming chains of A and B molecules along the [100] direction. The chains are interlinked by C—H⋯O hydrogen bonds, forming ribbons. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647401/ /pubmed/26594432 http://dx.doi.org/10.1107/S2056989015016096 Text en © Revathi et al. 2015 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 | Data Reports Revathi, B. K. Reuben Jonathan, D. Kalai Sevi, K. Dhanalakshmi, K. Usha, G. Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
title | Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
title_full | Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
title_fullStr | Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
title_full_unstemmed | Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
title_short | Crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
title_sort | crystal structure of [4-(chloromethyl)phenyl](4-hydroxypiperidin-1-yl)methanone |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647401/ https://www.ncbi.nlm.nih.gov/pubmed/26594432 http://dx.doi.org/10.1107/S2056989015016096 |
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