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N-(4-叔丁基苄基)邻苯二甲酰亚胺

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

作者信息

Li Jiang-Sheng, Simpson Jim, Li Xun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1779. doi: 10.1107/S1600536809025343.

DOI:10.1107/S1600536809025343
PMID:21583486
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977282/
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⋯π and π-π inter-actions [centroid-centroid distance = 3.961 (2) Å] generate a three-dimensional network.

摘要

标题化合物[系统名称:2-(4-叔丁基苄基)异吲哚啉-1,3-二酮],化学式为C(19)H(19)NO(2),其分子呈V形,邻苯二甲酰亚胺单元的平均平面与苯环之间的二面角为74.15 (7)°。叔丁基取代基的甲基在两组位置上无序排列,占有率为0.700 (4):0.300 (4)。在晶体中,分子间的C-H⋯O氢键将相邻分子连接成中心对称的二聚体。另外一个弱的C-H⋯O接触,以及弱的C-H⋯π和π-π相互作用[质心-质心距离 = 3.961 (2) Å]形成了一个三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/dafe7a182e63/e-65-o1779-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/be836d6b5d30/e-65-o1779-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/6855ea02997c/e-65-o1779-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/dafe7a182e63/e-65-o1779-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/be836d6b5d30/e-65-o1779-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/6855ea02997c/e-65-o1779-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/20bf/2977282/dafe7a182e63/e-65-o1779-fig3.jpg

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本文引用的文献

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