Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Corfield, Peter W. R., Paccagnini, Michele L., Balija, Amy M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782313402106904576
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
work_keys_str_mv AT corfieldpeterwr methyl35biscyclohexylmethoxybenzoate
AT paccagninimichelel methyl35biscyclohexylmethoxybenzoate
AT balijaamym methyl35biscyclohexylmethoxybenzoate