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N-(2,2-二甲基-丙酰基)-N'-(2-甲氧基-苯基)硫脲

N-(2,2-Dimethyl-propano-yl)-N'-(2-meth-oxy-phen-yl)thio-urea.

作者信息

Kadir Maisara A, Yamin Bohari M, Yusof M Sukeri M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1129. doi: 10.1107/S1600536812010914. Epub 2012 Mar 21.

DOI:10.1107/S1600536812010914
PMID:22589984
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344075/
Abstract

In the title compound, C(13)H(18)N(2)O(2)S, the carbonyl-thio-urea fragment is nearly planar with an r.m.s. deviation of 0.0096 Å. The dihedral angle between carbonyl-thio-urea group and the benzene ring is 19.16 (16)°. There are two intra-molecular N-H⋯O hydrogen bonds, which lead to two pseudo-six-membered rings. Weak intra-molecular C-H⋯S hydrogen bonding also occurs.

摘要

在标题化合物C₁₃H₁₈N₂O₂S中,羰基硫脲片段近乎平面,均方根偏差为0.0096 Å。羰基硫脲基团与苯环之间的二面角为19.16 (16)°。存在两个分子内N—H⋯O氢键,形成两个准六元环。还存在弱的分子内C—H⋯S氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d39a/3344075/b957d8f1a888/e-68-o1129-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d39a/3344075/b957d8f1a888/e-68-o1129-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d39a/3344075/b957d8f1a888/e-68-o1129-fig1.jpg

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本文引用的文献

1
N-(3-Nitro-phen-yl)-N'-pivaloylthio-urea.N-(3-硝基苯基)-N'-新戊酰硫脲
Acta Crystallogr Sect E Struct Rep Online. 2008 May 21;64(Pt 6):o1137. doi: 10.1107/S1600536808014530.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.