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(±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)

The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo­hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship...

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Detalles Bibliográficos
Autores principales: Tong, Sok Teng, Barker, David, Choi, Ka Wai, Boyd, Peter D. W., Brimble, Margaret A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959677/
https://www.ncbi.nlm.nih.gov/pubmed/21581034
http://dx.doi.org/10.1107/S1600536808033874
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author Tong, Sok Teng
Barker, David
Choi, Ka Wai
Boyd, Peter D. W.
Brimble, Margaret A.
author_facet Tong, Sok Teng
Barker, David
Choi, Ka Wai
Boyd, Peter D. W.
Brimble, Margaret A.
author_sort Tong, Sok Teng
collection PubMed
description The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo­hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol­ecules assemble in the crystal as chains along the c axis via C—H⋯π inter­actions between the cyclo­hexane ring and a pair of nitro­phenyl rings of the neighbouring mol­ecule. Also observed are π–π stacking inter­actions between the nitro­phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.
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spelling pubmed-29596772010-12-30 (±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate) Tong, Sok Teng Barker, David Choi, Ka Wai Boyd, Peter D. W. Brimble, Margaret A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo­hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol­ecules assemble in the crystal as chains along the c axis via C—H⋯π inter­actions between the cyclo­hexane ring and a pair of nitro­phenyl rings of the neighbouring mol­ecule. Also observed are π–π stacking inter­actions between the nitro­phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å. International Union of Crystallography 2008-10-22 /pmc/articles/PMC2959677/ /pubmed/21581034 http://dx.doi.org/10.1107/S1600536808033874 Text en © Tong et al. 2008 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
Tong, Sok Teng
Barker, David
Choi, Ka Wai
Boyd, Peter D. W.
Brimble, Margaret A.
(±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
title (±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
title_full (±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
title_fullStr (±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
title_full_unstemmed (±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
title_short (±)-Cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
title_sort (±)-cyclo­hexane-1,2-diyl bis­(4-nitro­benzoate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959677/
https://www.ncbi.nlm.nih.gov/pubmed/21581034
http://dx.doi.org/10.1107/S1600536808033874
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