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1,4 - 双(嘧啶 - 2 - 基硫烷基)丁烷

1,4-Bis(pyrimidin-2-yl-sulfanyl)-butane.

作者信息

Akbar Muhammad, Quereshi Fahim Ashraf, Nasir Waqar, Adnan Ahmad, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2849. doi: 10.1107/S1600536810041103.

DOI:10.1107/S1600536810041103
PMID:21589034
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009222/
Abstract

The -SCH(2)CH(2)CH(2)CH(2)S- portion of the title compound, C(12)H(14)N(2)S(2), adopts an extended zigzag conformation. The angles at the tetra-hedral carbon atoms are marginally increased [113.63 (12)° and 111.38 (17)° for S-C-C and C-C-C respectively] from the idealized tetra-hedral angle. The mol-ecule lies on an inversion center located at the mid-point of the butyl chain. In the crystal, there is a π-π stacking inter-action between inversion-related pyrimidine rings with mean inter-planar spacing of 3.494 (2) Å.

摘要

标题化合物C(12)H(14)N(2)S(2)中的-SCH(2)CH(2)CH(2)CH(2)S-部分呈伸展的锯齿状构象。四面体碳原子处的角度相对于理想四面体角略有增大[S-C-C和C-C-C的角度分别为113.63 (12)°和111.38 (17)°]。分子位于丁基链中点处的对称中心上。在晶体中,与反演相关的嘧啶环之间存在π-π堆积相互作用,平均平面间距为3.494 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8dd9/3009222/fbcc69b752da/e-66-o2849-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8dd9/3009222/fbcc69b752da/e-66-o2849-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8dd9/3009222/fbcc69b752da/e-66-o2849-fig1.jpg

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本文引用的文献

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