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2-(2-甲氧基苯基)-1H-异吲哚-1,3(2H)-二酮

2-(2-Meth-oxy-phen-yl)-1H-isoindole-1,3(2H)-dione.

作者信息

Tahir M Nawaz, Sirajuddin Muhammad, Ali Saqib, Munawar Khurram Shahzad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2589. doi: 10.1107/S1600536812027262. Epub 2012 Jul 28.

DOI:10.1107/S1600536812027262
PMID:22905014
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3415027/
Abstract

In the title compound, C(15)H(11)NO(3), the dihedral angle between the meth-oxy-benzene and isoindole ring systems is 70.21 (3)°. The meth-oxy C atom is close to being coplanar with its attached ring [deviation = 0.133 (2) Å] and is oriented away from the isoindole moiety. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(10) loops. Further C-H⋯O inter-actions lead to (010) infinite sheets and weak aromatic π-π stacking [centroid-centroid separations = 3.6990 (10) and 3.7217 (10) Å] is also observed.

摘要

在标题化合物C(15)H(11)NO(3)中,甲氧基苯环与异吲哚环系统之间的二面角为70.21 (3)°。甲氧基C原子与其相连的环几乎共面[偏差 = 0.133 (2) Å],且其取向远离异吲哚部分。在晶体中,通过成对的C-H⋯O氢键连接的反演二聚体形成R(2) (2)(10)环。进一步的C-H⋯O相互作用导致形成(010)无限层,并且还观察到弱的芳香π-π堆积[质心-质心间距 = 3.6990 (10) 和3.7217 (10) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/baa3/3415027/1166fa52e74f/e-68-o2589-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/baa3/3415027/85cf854223c9/e-68-o2589-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/baa3/3415027/1166fa52e74f/e-68-o2589-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/baa3/3415027/85cf854223c9/e-68-o2589-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/baa3/3415027/1166fa52e74f/e-68-o2589-fig2.jpg

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