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2-（1,2,3,4-四氢萘-1-亚基）肼基甲硫酰胺

2-(1,2,3,4-Tetra-hydro-naphthalen-1-yl-idene)hydrazinecarbothio-amide.

作者信息

de Oliveira Adriano Bof, Silva Cecília Santos, Feitosa Bárbara Regina Santos, Näther Christian, Jess Inke

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2581. doi: 10.1107/S1600536812033302. Epub 2012 Jul 28.

DOI:10.1107/S1600536812033302
PMID:22905007
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3415020/
Abstract

The mol-ecular structure of the title compound, C(11)H(13)N(3)S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothio-amide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å, respectively, and the dihedral angle between the two planes is 8.84 (13)°. In the crystal, mol-ecules are linked into chains along [1[Formula: see text]0] by pairs of N-H⋯S hydrogen bonds between mol-ecules related by centres of symmetry.

摘要

标题化合物C(11)H(13)N(3)S的分子结构不是平面的：一个脂肪族C原子与非H原子平均平面的最大偏差为0.521 (2) Å，这对应于非芳香环的信封式构象。肼基碳硫酰胺取代基和苯环与通过非H原子的平均平面的最大偏差分别为0.0288 (16) 和0.0124 (27) Å，且这两个平面之间的二面角为8.84 (13)°。在晶体中，分子通过由对称中心相关的分子间的N-H⋯S氢键对沿[10]连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d95/3415020/0ca506af044c/e-68-o2581-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d95/3415020/85c036a5d6f8/e-68-o2581-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d95/3415020/0ca506af044c/e-68-o2581-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d95/3415020/85c036a5d6f8/e-68-o2581-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7d95/3415020/0ca506af044c/e-68-o2581-fig2.jpg

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