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N-(4-tert-Butylbenzyl)phthalimide
The molecule of the title compound [systematic name: 2-(4-tert-butylbenzyl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977282/ https://www.ncbi.nlm.nih.gov/pubmed/21583486 http://dx.doi.org/10.1107/S1600536809025343 |
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author | Li, Jiang-Sheng Simpson, Jim Li, Xun |
author_facet | Li, Jiang-Sheng Simpson, Jim Li, Xun |
author_sort | Li, Jiang-Sheng |
collection | PubMed |
description | The molecule of the title compound [systematic name: 2-(4-tert-butylbenzyl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, intermolecular C—H⋯O hydrogen bonds link adjacent molecules into centrosymmetric dimers. An additional weak C—H⋯O contact, together with weak C—H⋯π and π–π interactions [centroid–centroid distance = 3.961 (2) Å] generate a three-dimensional network. |
format | Text |
id | pubmed-2977282 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29772822010-12-30 N-(4-tert-Butylbenzyl)phthalimide Li, Jiang-Sheng Simpson, Jim Li, Xun Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the title compound [systematic name: 2-(4-tert-butylbenzyl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, intermolecular C—H⋯O hydrogen bonds link adjacent molecules into centrosymmetric dimers. An additional weak C—H⋯O contact, together with weak C—H⋯π and π–π interactions [centroid–centroid distance = 3.961 (2) Å] generate a three-dimensional network. International Union of Crystallography 2009-07-04 /pmc/articles/PMC2977282/ /pubmed/21583486 http://dx.doi.org/10.1107/S1600536809025343 Text en © Li et al. 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 Li, Jiang-Sheng Simpson, Jim Li, Xun N-(4-tert-Butylbenzyl)phthalimide |
title |
N-(4-tert-Butylbenzyl)phthalimide |
title_full |
N-(4-tert-Butylbenzyl)phthalimide |
title_fullStr |
N-(4-tert-Butylbenzyl)phthalimide |
title_full_unstemmed |
N-(4-tert-Butylbenzyl)phthalimide |
title_short |
N-(4-tert-Butylbenzyl)phthalimide |
title_sort | n-(4-tert-butylbenzyl)phthalimide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977282/ https://www.ncbi.nlm.nih.gov/pubmed/21583486 http://dx.doi.org/10.1107/S1600536809025343 |
work_keys_str_mv | AT lijiangsheng n4tertbutylbenzylphthalimide AT simpsonjim n4tertbutylbenzylphthalimide AT lixun n4tertbutylbenzylphthalimide |