Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate

The mol­ecular title compound, C(20)H(22)O(6), was obtained by the reaction of ethyl 2-hy­droxy­benzoate with 1,2-di­chloro­ethane. The mol­ecule lies on a twofold rotation axis which passes through the middle of the central ethyl­ene bridge. This group exhibits a gauche conformation with the corres...

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Detalles Bibliográficos
Autores principales: Shi, Huaduan, Qin, Haisha, Ma, Zhen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011244/
https://www.ncbi.nlm.nih.gov/pubmed/24860360
http://dx.doi.org/10.1107/S1600536814007673
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author Shi, Huaduan
Qin, Haisha
Ma, Zhen
author_facet Shi, Huaduan
Qin, Haisha
Ma, Zhen
author_sort Shi, Huaduan
collection PubMed
description The mol­ecular title compound, C(20)H(22)O(6), was obtained by the reaction of ethyl 2-hy­droxy­benzoate with 1,2-di­chloro­ethane. The mol­ecule lies on a twofold rotation axis which passes through the middle of the central ethyl­ene bridge. This group exhibits a gauche conformation with the corresponding O—C—C—O torsion angle being 73.2 (2)°. The C atoms of the carboxyl group, the aryl and the O—CH(2) group are coplanar, with an r.m.s. deviation of 0.01 Å. The two aryl rings form a dihedral angle of 67.94 (4)°. The ester ethyl group is disordered over two sets of sites with an occupancy ratio of 0.59 (2):0.41 (2). The crystal packing is dominated by van der Waals forces.
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spelling pubmed-40112442014-05-23 Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate Shi, Huaduan Qin, Haisha Ma, Zhen Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecular title compound, C(20)H(22)O(6), was obtained by the reaction of ethyl 2-hy­droxy­benzoate with 1,2-di­chloro­ethane. The mol­ecule lies on a twofold rotation axis which passes through the middle of the central ethyl­ene bridge. This group exhibits a gauche conformation with the corresponding O—C—C—O torsion angle being 73.2 (2)°. The C atoms of the carboxyl group, the aryl and the O—CH(2) group are coplanar, with an r.m.s. deviation of 0.01 Å. The two aryl rings form a dihedral angle of 67.94 (4)°. The ester ethyl group is disordered over two sets of sites with an occupancy ratio of 0.59 (2):0.41 (2). The crystal packing is dominated by van der Waals forces. International Union of Crystallography 2014-04-12 /pmc/articles/PMC4011244/ /pubmed/24860360 http://dx.doi.org/10.1107/S1600536814007673 Text en © Shi 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
Shi, Huaduan
Qin, Haisha
Ma, Zhen
Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
title Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
title_full Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
title_fullStr Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
title_full_unstemmed Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
title_short Diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
title_sort diethyl 2,2′-(ethane-1,2-diyldi­oxy)di­benzo­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011244/
https://www.ncbi.nlm.nih.gov/pubmed/24860360
http://dx.doi.org/10.1107/S1600536814007673
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AT qinhaisha diethyl22ethane12diyldioxydibenzoate
AT mazhen diethyl22ethane12diyldioxydibenzoate

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