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Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one
The asymmetric unit of the title compound, C(16)H(24)Cl(2)O(2), contains two independent molecules (A and B) which are built from three fused rings, viz. a seven-membered heptane ring, a six-membered cyclohexyl ring bearing a ketone and an alcohol group, and a cyclopropane ring bearing two Cl ato...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908527/ https://www.ncbi.nlm.nih.gov/pubmed/27308024 http://dx.doi.org/10.1107/S2056989016006174 |
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author | Benzalim, Ahmed Auhmani, Aziz Ait Itto, My Youssef Daran, Jean-Claude Abdelwahed, Auhmani |
author_facet | Benzalim, Ahmed Auhmani, Aziz Ait Itto, My Youssef Daran, Jean-Claude Abdelwahed, Auhmani |
author_sort | Benzalim, Ahmed |
collection | PubMed |
description | The asymmetric unit of the title compound, C(16)H(24)Cl(2)O(2), contains two independent molecules (A and B) which are built from three fused rings, viz. a seven-membered heptane ring, a six-membered cyclohexyl ring bearing a ketone and an alcohol group, and a cyclopropane ring bearing two Cl atoms. In the crystal, the two molecules are linked via two O—H⋯O hydrogen bonds, forming an A–B dimer with an R (2) (2)(10) ring motif. The A molecules of these dimers are linked via a C—H⋯O hydrogen bond, forming chains propagating along the a-axis direction. Both molecules have the same absolute configuration, i.e. 1S,3R,8R,10S, which is based on the synthetic pathway and further confirmed by resonant scattering [Flack parameter = 0.03 (5)]. |
format | Online Article Text |
id | pubmed-4908527 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085272016-06-15 Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one Benzalim, Ahmed Auhmani, Aziz Ait Itto, My Youssef Daran, Jean-Claude Abdelwahed, Auhmani Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(16)H(24)Cl(2)O(2), contains two independent molecules (A and B) which are built from three fused rings, viz. a seven-membered heptane ring, a six-membered cyclohexyl ring bearing a ketone and an alcohol group, and a cyclopropane ring bearing two Cl atoms. In the crystal, the two molecules are linked via two O—H⋯O hydrogen bonds, forming an A–B dimer with an R (2) (2)(10) ring motif. The A molecules of these dimers are linked via a C—H⋯O hydrogen bond, forming chains propagating along the a-axis direction. Both molecules have the same absolute configuration, i.e. 1S,3R,8R,10S, which is based on the synthetic pathway and further confirmed by resonant scattering [Flack parameter = 0.03 (5)]. International Union of Crystallography 2016-04-15 /pmc/articles/PMC4908527/ /pubmed/27308024 http://dx.doi.org/10.1107/S2056989016006174 Text en © Benzalim et al. 2016 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 | Research Communications Benzalim, Ahmed Auhmani, Aziz Ait Itto, My Youssef Daran, Jean-Claude Abdelwahed, Auhmani Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
title | Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
title_full | Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
title_fullStr | Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
title_full_unstemmed | Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
title_short | Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
title_sort | crystal structure of (1s,3r,8r,10s)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0(1,3)]dodecan-9-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908527/ https://www.ncbi.nlm.nih.gov/pubmed/27308024 http://dx.doi.org/10.1107/S2056989016006174 |
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