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Methyl 3,5-bis(cyclohexylmethoxy)benzoate
In the title compound, C(22)H(32)O(4), the atoms of the methyl ester group and the alkoxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008 Å. Bonds to the methylene and cyclohexyl groups are also very close to this plane, so that the molecule is essentia...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998623/ https://www.ncbi.nlm.nih.gov/pubmed/24826119 http://dx.doi.org/10.1107/S1600536814004607 |
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author | Corfield, Peter W. R. Paccagnini, Michele L. Balija, Amy M. |
author_facet | Corfield, Peter W. R. Paccagnini, Michele L. Balija, Amy M. |
author_sort | Corfield, Peter W. R. |
collection | PubMed |
description | In the title compound, C(22)H(32)O(4), the atoms of the methyl ester group and the alkoxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008 Å. Bonds to the methylene and cyclohexyl groups are also very close to this plane, so that the molecule is essentially flat, apart from the cyclohexyl groups. The mean planes through the cyclohexyl groups are tilted by 30.08 (9) and 36.14 (7)° with respect to the central aromatic ring. In the crystal, pairs of molecules linked by C—H⋯O hydrogen bonds form planar units which are stacked along the a axis, with an average interplanar distance of 3.549 (2) Å. Stacking appears to be stabilized by further weak C—H⋯O hydrogen bonds. |
format | Online Article Text |
id | pubmed-3998623 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39986232014-05-13 Methyl 3,5-bis(cyclohexylmethoxy)benzoate Corfield, Peter W. R. Paccagnini, Michele L. Balija, Amy M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(32)O(4), the atoms of the methyl ester group and the alkoxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008 Å. Bonds to the methylene and cyclohexyl groups are also very close to this plane, so that the molecule is essentially flat, apart from the cyclohexyl groups. The mean planes through the cyclohexyl groups are tilted by 30.08 (9) and 36.14 (7)° with respect to the central aromatic ring. In the crystal, pairs of molecules linked by C—H⋯O hydrogen bonds form planar units which are stacked along the a axis, with an average interplanar distance of 3.549 (2) Å. Stacking appears to be stabilized by further weak C—H⋯O hydrogen bonds. International Union of Crystallography 2014-03-08 /pmc/articles/PMC3998623/ /pubmed/24826119 http://dx.doi.org/10.1107/S1600536814004607 Text en © Corfield et al. 2014 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 Corfield, Peter W. R. Paccagnini, Michele L. Balija, Amy M. Methyl 3,5-bis(cyclohexylmethoxy)benzoate |
title | Methyl 3,5-bis(cyclohexylmethoxy)benzoate |
title_full | Methyl 3,5-bis(cyclohexylmethoxy)benzoate |
title_fullStr | Methyl 3,5-bis(cyclohexylmethoxy)benzoate |
title_full_unstemmed | Methyl 3,5-bis(cyclohexylmethoxy)benzoate |
title_short | Methyl 3,5-bis(cyclohexylmethoxy)benzoate |
title_sort | methyl 3,5-bis(cyclohexylmethoxy)benzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998623/ https://www.ncbi.nlm.nih.gov/pubmed/24826119 http://dx.doi.org/10.1107/S1600536814004607 |
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