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5-甲基-菲并[2,3-b]噻吩

5-Methyl-phenanthro[2,3-b]thio-phene.

作者信息

Ranjith S, Subbiahpandi A, Dhayalan V, Mohanakrishnan A K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1243. doi: 10.1107/S1600536811014838. Epub 2011 Apr 29.

DOI:10.1107/S1600536811014838
PMID:21754536
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089194/
Abstract

The title compound, C(17)H(12)S, which crystallises with two molecules in the asymmetric unit, features four fused rings forming an essentially planar mol-ecule, with maximum deviations from the mean plane of 0.078 (2) and 0.080 (2) Å for C atoms of the thio-phene and phenanthrene groups in both the mol-ecules. The crystal packing features weak C-H⋯π inter-actions.

摘要

标题化合物C(17)H(12)S在不对称单元中含有两个分子，其具有四个稠合环，形成一个基本平面的分子，两个分子中噻吩和菲基团的C原子与平均平面的最大偏差分别为0.078 (2) Å和0.080 (2) Å。晶体堆积具有弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c96e/3089194/4192b2e6e66d/e-67-o1243-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c96e/3089194/bb03bc512a92/e-67-o1243-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c96e/3089194/4192b2e6e66d/e-67-o1243-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c96e/3089194/bb03bc512a92/e-67-o1243-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c96e/3089194/4192b2e6e66d/e-67-o1243-fig2.jpg

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本文引用的文献

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Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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