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Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)

In the title compound, C(21)H(30)O(6), the three acet­oxy groups are essentially planar with their normals rotated by −57.75 (4), −62.36 (4) and 63.36 (4)° from the normal to the mean plane of the C(6) ring. The arrangement of carbonyl groups around the ring is of two groups ‘up’ and one ‘down’, and...

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Autores principales: Haines, Alan H., Hughes, David L.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971883/
https://www.ncbi.nlm.nih.gov/pubmed/21578973
http://dx.doi.org/10.1107/S1600536809050028
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author Haines, Alan H.
Hughes, David L.
author_facet Haines, Alan H.
Hughes, David L.
author_sort Haines, Alan H.
collection PubMed
description In the title compound, C(21)H(30)O(6), the three acet­oxy groups are essentially planar with their normals rotated by −57.75 (4), −62.36 (4) and 63.36 (4)° from the normal to the mean plane of the C(6) ring. The arrangement of carbonyl groups around the ring is of two groups ‘up’ and one ‘down’, and the propeller-style arrangement of substituent groups is spoiled with the plane of the ‘down’ group twisted in the opposite direction; all the C(ring)—O—C—CMe(3 )conformations are trans. In the crystal, aromatic π–π stacking occurs [centroid–centroid separation = 3.320 (1) Å]; the other main inter­molecular inter­action is a C—H⋯π-ring contact on the opposing side from the overlapped ring pairing; there are no short C—H⋯O contacts.
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spelling pubmed-29718832010-12-30 Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate) Haines, Alan H. Hughes, David L. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(30)O(6), the three acet­oxy groups are essentially planar with their normals rotated by −57.75 (4), −62.36 (4) and 63.36 (4)° from the normal to the mean plane of the C(6) ring. The arrangement of carbonyl groups around the ring is of two groups ‘up’ and one ‘down’, and the propeller-style arrangement of substituent groups is spoiled with the plane of the ‘down’ group twisted in the opposite direction; all the C(ring)—O—C—CMe(3 )conformations are trans. In the crystal, aromatic π–π stacking occurs [centroid–centroid separation = 3.320 (1) Å]; the other main inter­molecular inter­action is a C—H⋯π-ring contact on the opposing side from the overlapped ring pairing; there are no short C—H⋯O contacts. International Union of Crystallography 2009-11-28 /pmc/articles/PMC2971883/ /pubmed/21578973 http://dx.doi.org/10.1107/S1600536809050028 Text en © Haines and Hughes 2009 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
Haines, Alan H.
Hughes, David L.
Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
title Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
title_full Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
title_fullStr Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
title_full_unstemmed Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
title_short Benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
title_sort benzene-1,3,5-triyl tris­(2,2-dimethyl­propanoate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971883/
https://www.ncbi.nlm.nih.gov/pubmed/21578973
http://dx.doi.org/10.1107/S1600536809050028
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