tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate

The title compound, C(16)H(22)O(3), is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, the mol­ecules are linked into infinite chains held together by weak C—H⋯O hydrogen-bonded inter­acti...

Descripción completa

Detalles Bibliográficos
Autores principales: Gould, Graham B., Jackman, Brock G., Logue, Marshall W., Luck, Rudy L., Pignotti, Louis R., Smith, Adrian R., White, Nicholas M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979969/
https://www.ncbi.nlm.nih.gov/pubmed/21579897
http://dx.doi.org/10.1107/S1600536810003144
_version_ 1782191545721552896
author Gould, Graham B.
Jackman, Brock G.
Logue, Marshall W.
Luck, Rudy L.
Pignotti, Louis R.
Smith, Adrian R.
White, Nicholas M.
author_facet Gould, Graham B.
Jackman, Brock G.
Logue, Marshall W.
Luck, Rudy L.
Pignotti, Louis R.
Smith, Adrian R.
White, Nicholas M.
author_sort Gould, Graham B.
collection PubMed
description The title compound, C(16)H(22)O(3), is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, the mol­ecules are linked into infinite chains held together by weak C—H⋯O hydrogen-bonded inter­actions between an H atom on the benzene ring of one mol­ecule and an O atom on the ketone functionality of an adjacent mol­ecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydro­phobic stacking, with short C—H⋯H—C contacts (2.37 Å) between adjacent chains
format Text
id pubmed-2979969
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29799692010-12-30 tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate Gould, Graham B. Jackman, Brock G. Logue, Marshall W. Luck, Rudy L. Pignotti, Louis R. Smith, Adrian R. White, Nicholas M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(22)O(3), is bent with a dihedral angle of 75.3 (1)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). In the crystal, the mol­ecules are linked into infinite chains held together by weak C—H⋯O hydrogen-bonded inter­actions between an H atom on the benzene ring of one mol­ecule and an O atom on the ketone functionality of an adjacent mol­ecule. The chains are arranged with neighbouring tert-butyl and dimethyl groups on adjacent chains exhibiting hydro­phobic stacking, with short C—H⋯H—C contacts (2.37 Å) between adjacent chains International Union of Crystallography 2010-01-30 /pmc/articles/PMC2979969/ /pubmed/21579897 http://dx.doi.org/10.1107/S1600536810003144 Text en © Gould 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
Gould, Graham B.
Jackman, Brock G.
Logue, Marshall W.
Luck, Rudy L.
Pignotti, Louis R.
Smith, Adrian R.
White, Nicholas M.
tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
title tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
title_full tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
title_fullStr tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
title_full_unstemmed tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
title_short tert-Butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
title_sort tert-butyl 2-methyl-2-(4-methyl­benzo­yl)propanoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979969/
https://www.ncbi.nlm.nih.gov/pubmed/21579897
http://dx.doi.org/10.1107/S1600536810003144
work_keys_str_mv AT gouldgrahamb tertbutyl2methyl24methylbenzoylpropanoate
AT jackmanbrockg tertbutyl2methyl24methylbenzoylpropanoate
AT loguemarshallw tertbutyl2methyl24methylbenzoylpropanoate
AT luckrudyl tertbutyl2methyl24methylbenzoylpropanoate
AT pignottilouisr tertbutyl2methyl24methylbenzoylpropanoate
AT smithadrianr tertbutyl2methyl24methylbenzoylpropanoate
AT whitenicholasm tertbutyl2methyl24methylbenzoylpropanoate

Ejemplares similares