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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2971883 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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