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5-乙氧基-1,3,4-噻二唑-2(3H)-硫酮

5-Eth-oxy-1,3,4-thia-diazole-2(3H)-thione.

作者信息

Kang Sung Kwon, Cho Nam Sook, Jang Siyoung

机构信息

Department of Chemistry, Chungnam National University, Daejeon 305-764, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o503. doi: 10.1107/S1600536812002024. Epub 2012 Jan 21.

DOI:10.1107/S1600536812002024
PMID:22347104
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275248/
Abstract

In the title compound, C(4)H(6)N(2)OS(2), the dihedral angle between the five-membered heterocyclic ring and the plane of the eth-oxy group is 4.9 (2)°. The 1,3,4-thiadiazole-2-thione unit is planar, with an r.m.s. deviation of 0.011 Å from the corresponding squares plane defined by the seven constituent atoms. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-ecules into inversion dimers.

摘要

在标题化合物C₄H₆N₂OS₂中，五元杂环与乙氧基平面之间的二面角为4.9 (2)°。1,3,4 - 噻二唑 - 2 - 硫酮单元是平面的，相对于由七个组成原子定义的相应正方形平面，其均方根偏差为0.011 Å。在晶体中，N - H⋯S氢键对将分子连接成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff88/3275248/1c500429e655/e-68-0o503-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff88/3275248/39163a4385a3/e-68-0o503-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff88/3275248/1c500429e655/e-68-0o503-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff88/3275248/39163a4385a3/e-68-0o503-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff88/3275248/1c500429e655/e-68-0o503-fig2.jpg

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