tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate

The title compound, C(15)H(19)ClO(3), is bent with a dihedral angle of 72.02 (9)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, mol­ecules related by inversion symmetry are connected by weak C—H⋯O inter­actions into infinite c...

Descripción completa

Detalles Bibliográficos
Autores principales: Crosse, Chelsey M., Kelly, Emily C., Logue, Marshall W., Luck, Rudy L., Maass, John S., Mehne, Katlyn C., Pignotti, Louis R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979824/
https://www.ncbi.nlm.nih.gov/pubmed/21579898
http://dx.doi.org/10.1107/S1600536810003156
_version_ 1782191510343647232
author Crosse, Chelsey M.
Kelly, Emily C.
Logue, Marshall W.
Luck, Rudy L.
Maass, John S.
Mehne, Katlyn C.
Pignotti, Louis R.
author_facet Crosse, Chelsey M.
Kelly, Emily C.
Logue, Marshall W.
Luck, Rudy L.
Maass, John S.
Mehne, Katlyn C.
Pignotti, Louis R.
author_sort Crosse, Chelsey M.
collection PubMed
description The title compound, C(15)H(19)ClO(3), is bent with a dihedral angle of 72.02 (9)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, mol­ecules related by inversion symmetry are connected by weak C—H⋯O inter­actions into infinite chains. These inter­actions involve H atoms from a methyl group of the dimethyl residue and the O atoms of the ketone on one side of a mol­ecule; on the other side there are inter­actions between H atoms of the benzene ring and the carbonyl O atoms of the ester functionality. There are no directional inter­actions between the chains.
format Text
id pubmed-2979824
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29798242010-12-30 tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate Crosse, Chelsey M. Kelly, Emily C. Logue, Marshall W. Luck, Rudy L. Maass, John S. Mehne, Katlyn C. Pignotti, Louis R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(19)ClO(3), is bent with a dihedral angle of 72.02 (9)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, mol­ecules related by inversion symmetry are connected by weak C—H⋯O inter­actions into infinite chains. These inter­actions involve H atoms from a methyl group of the dimethyl residue and the O atoms of the ketone on one side of a mol­ecule; on the other side there are inter­actions between H atoms of the benzene ring and the carbonyl O atoms of the ester functionality. There are no directional inter­actions between the chains. International Union of Crystallography 2010-01-30 /pmc/articles/PMC2979824/ /pubmed/21579898 http://dx.doi.org/10.1107/S1600536810003156 Text en © Crosse et al. 2010 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
Crosse, Chelsey M.
Kelly, Emily C.
Logue, Marshall W.
Luck, Rudy L.
Maass, John S.
Mehne, Katlyn C.
Pignotti, Louis R.
tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
title tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
title_full tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
title_fullStr tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
title_full_unstemmed tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
title_short tert-Butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
title_sort tert-butyl 2-(4-chloro­benzo­yl)-2-methyl­propanoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979824/
https://www.ncbi.nlm.nih.gov/pubmed/21579898
http://dx.doi.org/10.1107/S1600536810003156
work_keys_str_mv AT crossechelseym tertbutyl24chlorobenzoyl2methylpropanoate
AT kellyemilyc tertbutyl24chlorobenzoyl2methylpropanoate
AT loguemarshallw tertbutyl24chlorobenzoyl2methylpropanoate
AT luckrudyl tertbutyl24chlorobenzoyl2methylpropanoate
AT maassjohns tertbutyl24chlorobenzoyl2methylpropanoate
AT mehnekatlync tertbutyl24chlorobenzoyl2methylpropanoate
AT pignottilouisr tertbutyl24chlorobenzoyl2methylpropanoate

Ejemplares similares