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1-苯甲酰基-3,3-双-（2-甲基丙基）硫脲

1-Benzoyl-3,3-bis-(2-methyl-prop-yl)thio-urea.

作者信息

Selvakumaran N, Karvembu R, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 12;67(Pt 3):o602. doi: 10.1107/S1600536811004557.

DOI:10.1107/S1600536811004557
PMID:21522360
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052116/
Abstract

The title compound, C(16)H(24)N(2)OS, is twisted about the central N(H)-C bond with the C-N-C-S torsion angle being 119.6 (3)°. The carbonyl O and thione S atoms are directed to opposite sides of the mol-ecule, a conformation that allows for the formation of a linear supra-molecular chain comprising alternating eight-membered {⋯HNCS}(2) and 14-membered {⋯HCNCNCO}(2) synthons.

摘要

标题化合物C(16)H(24)N(2)OS围绕中心N(H)-C键扭转，C-N-C-S扭转角为119.6 (3)°。羰基O原子和硫酮S原子指向分子的相反两侧，这种构象有利于形成由交替的八元{⋯HNCS}(2)和十四元{⋯HCNCNCO}(2)合成子组成的线性超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/9909fae241d3/e-67-0o602-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/0a9dee917fa4/e-67-0o602-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/79c999ef2cb6/e-67-0o602-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/9909fae241d3/e-67-0o602-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/0a9dee917fa4/e-67-0o602-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/79c999ef2cb6/e-67-0o602-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/52ef/3052116/9909fae241d3/e-67-0o602-fig3.jpg

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Spectrochim Acta A Mol Biomol Spectrosc. 2006 Jul;64(4):1065-71. doi: 10.1016/j.saa.2005.09.016. Epub 2006 Feb 7.