Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Benzalim, Ahmed, Auhmani, Aziz, Ait Itto, My Youssef, Daran, Jean-Claude, Abdelwahed, Auhmani
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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
_version_ 1782437698660728832
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
work_keys_str_mv AT benzalimahmed crystalstructureof1s3r8r10s22dichloro10hydroxy37710tetramethyltricyclo640013dodecan9one
AT auhmaniaziz crystalstructureof1s3r8r10s22dichloro10hydroxy37710tetramethyltricyclo640013dodecan9one
AT aitittomyyoussef crystalstructureof1s3r8r10s22dichloro10hydroxy37710tetramethyltricyclo640013dodecan9one
AT daranjeanclaude crystalstructureof1s3r8r10s22dichloro10hydroxy37710tetramethyltricyclo640013dodecan9one
AT abdelwahedauhmani crystalstructureof1s3r8r10s22dichloro10hydroxy37710tetramethyltricyclo640013dodecan9one