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N-(4-tert-Butyl-benz-yl)phthalimide.

ABSTRACT: The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)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, inter-molecular C-H?O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H?O contact, together with weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.961?(2)?Å] generate a three-dimensional network.

SUBMITTER: Li JS

PROVIDER: S-EPMC2977282 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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N-(4-tert-Butyl-benz-yl)phthalimide.

Li Jiang-Sheng JS Simpson Jim J Li Xun X

Acta crystallographica. Section E, Structure reports online 20090704 Pt 8

The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)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, inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional wea ...[more]

PMID: 21583486

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