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1-苯基异吲哚酮

1-Phenyl-isatin.

作者信息

Shukla Deepak, Rajeswaran Manju

机构信息

Eastman Kodak Company, Kodak Research Laboratories, Rochester, NY 14650-2106, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2034. doi: 10.1107/S1600536811027334. Epub 2011 Jul 13.

DOI:10.1107/S1600536811027334
PMID:22091062
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213483/
Abstract

In the title compound, C(14)H(9)NO(2), the phenyl ring makes a dihedral angle of 50.59 (5)° with the mean plane of the isatin fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits two slipped π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.968 (3) Å, inter-planar distance = 3.484 (3) Å and slippage = 1.899 (3) Å], and between the phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.968 (3) Å, inter-planar distance = 3.638 (3) Å and slippage = 1.584 (3) Å].

摘要

在标题化合物C₁₄H₉NO₂中,苯环与异吲哚酮片段的平均平面形成50.59 (5)°的二面角。在晶体中,分子通过弱的分子间C—H⋯O氢键相连。晶体结构还在相邻分子的苯环之间 [质心-质心距离 = 3.968 (3) Å,平面间距离 = 3.484 (3) Å,滑移 = 1.899 (3) Å] 以及相邻分子的苯环之间 [质心-质心距离 = 3.968 (3) Å,平面间距离 = 3.638 (3) Å,滑移 = 1.584 (3) Å] 呈现出两种滑移π-π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/6979e33f4349/e-67-o2034-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/bbcebf2e22a6/e-67-o2034-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/7b7a1a7e1e2d/e-67-o2034-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/f7290ba48d25/e-67-o2034-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/6979e33f4349/e-67-o2034-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/bbcebf2e22a6/e-67-o2034-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/7b7a1a7e1e2d/e-67-o2034-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/f7290ba48d25/e-67-o2034-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/16cd/3213483/6979e33f4349/e-67-o2034-fig4.jpg

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