Cargando…

Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate

In the title compound, C(34)H(30)O(12)P(2), which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo­hexa­nedi­carboxyl­ate with diphenyl chloro­phosphate, the mol­ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo­hexa-1,4-diene rin...

Descripción completa

Detalles Bibliográficos
Autores principales: Gao, Lei, Ma, Zongshan, Yan, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459327/
https://www.ncbi.nlm.nih.gov/pubmed/26090189
http://dx.doi.org/10.1107/S2056989015008658
_version_ 1782375204495818752
author Gao, Lei
Ma, Zongshan
Yan, Hong
author_facet Gao, Lei
Ma, Zongshan
Yan, Hong
author_sort Gao, Lei
collection PubMed
description In the title compound, C(34)H(30)O(12)P(2), which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo­hexa­nedi­carboxyl­ate with diphenyl chloro­phosphate, the mol­ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo­hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0 (1) and 89.5 (1)°, while that with the ester group is 3.1 (3)°. In the crystal, only weak inter­molecular C—H⋯O hydrogen bonds are present.
format Online
Article
Text
id pubmed-4459327
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-44593272015-06-18 Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate Gao, Lei Ma, Zongshan Yan, Hong Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(34)H(30)O(12)P(2), which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo­hexa­nedi­carboxyl­ate with diphenyl chloro­phosphate, the mol­ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo­hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0 (1) and 89.5 (1)°, while that with the ester group is 3.1 (3)°. In the crystal, only weak inter­molecular C—H⋯O hydrogen bonds are present. International Union of Crystallography 2015-05-13 /pmc/articles/PMC4459327/ /pubmed/26090189 http://dx.doi.org/10.1107/S2056989015008658 Text en © Gao et al. 2015 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 Data Reports
Gao, Lei
Ma, Zongshan
Yan, Hong
Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
title Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
title_full Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
title_fullStr Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
title_full_unstemmed Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
title_short Crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
title_sort crystal structure of dimethyl 2,5-bis­[(di­phen­oxy­phosphor­yl)­oxy]cyclo­hexa-1,4-diene-1,4-di­carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459327/
https://www.ncbi.nlm.nih.gov/pubmed/26090189
http://dx.doi.org/10.1107/S2056989015008658
work_keys_str_mv AT gaolei crystalstructureofdimethyl25bisdiphenoxyphosphoryloxycyclohexa14diene14dicarboxylate
AT mazongshan crystalstructureofdimethyl25bisdiphenoxyphosphoryloxycyclohexa14diene14dicarboxylate
AT yanhong crystalstructureofdimethyl25bisdiphenoxyphosphoryloxycyclohexa14diene14dicarboxylate