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2-(5-氯-1-甲基-2-氧代-2,3-二氢-1H-吲哚-3-亚基)乙酸甲酯

Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-di-hydro-1H-indol-3-ylidene)acetate.

作者信息

Kannan Piskala Subburaman, Yuvaraj Panneerselvam, Manivannan Karthikeyan, Reddy Boreddy S R, Subbiahpandi A

机构信息

Department of Physics, S.M.K. Fomra Institute of Technology, Thaiyur, Chennai 603 103, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69(Pt 6):o856. doi: 10.1107/S1600536813011768. Print 2013 Jun 1.

DOI:10.1107/S1600536813011768
PMID:23795040
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3684938/
Abstract

The title compound, C12H10ClNO3, the indoline ring system is essentially planar, with a maximum deviation of 0.009 Å for the N atom. The indoline ring and acetate group are essentially coplanar, with a maximum deviation of 0.086 Å for the O atom. The mean plane through the methoxy-carbonyl-methyl group forms a dihedral angle of 3.68 (5)° with the plane of the indoline ring system. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen-bond inter-action. In the crystal, π-π stacking inter-actions [centroid-centroid distance = 3.7677 (8) Å] occur between benzene rings, forming a chain running along the c-axis direction.

摘要

标题化合物C₁₂H₁₀ClNO₃中,二氢吲哚环系基本呈平面状,N原子的最大偏差为0.009 Å。二氢吲哚环和乙酸酯基团基本共面,O原子的最大偏差为0.086 Å。穿过甲氧基羰基甲基的平均平面与二氢吲哚环系平面形成3.68 (5)°的二面角。分子结构通过分子内C—H⋯O氢键相互作用得以稳定。在晶体中,苯环之间发生π-π堆积相互作用[质心-质心距离 = 3.7677 (8) Å],形成沿c轴方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06aa/3684938/917476e4647a/e-69-0o856-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06aa/3684938/917476e4647a/e-69-0o856-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06aa/3684938/917476e4647a/e-69-0o856-fig1.jpg

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