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(Z)-N,N-二甲基-2-[苯基(吡啶-2-基)亚甲基]肼基甲硫酰胺

(Z)-N,N-Dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbothio-amide.

作者信息

Jayakumar K, Sithambaresan M, Prathapachandra Kurup M R

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3195. doi: 10.1107/S1600536811045739. Epub 2011 Nov 5.

DOI:10.1107/S1600536811045739
PMID:22199715
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238862/
Abstract

The title compound, C(15)H(16)N(4)S, exists in the Z conformation with the thionyl S atom lying cis to the azomethine N atom. The shortening of the N-N distance [1.3697 (17) Å] is due to extensive delocalization with the pyridine ring. The hydrazine-carbothio-amide unit is almost planar, with a maximum deviation of 0.013 (2) Å for the amide N atom. The stability of this conformation is favoured by the formation of an intra-molecular N-H⋯N hydrogen bond. The packing of the mol-ecules involves no classical inter-molecular hydrogen-bonding inter-actions; however, a C-H⋯π inter-action occurs.

摘要

标题化合物C(15)H(16)N(4)S以Z构象存在,亚硫酰基S原子与偶氮甲碱N原子呈顺式排列。N-N键长缩短[1.3697 (17) Å]是由于与吡啶环的广泛离域作用。肼基碳硫酰胺单元几乎呈平面状,酰胺N原子的最大偏差为0.013 (2) Å。这种构象的稳定性得益于分子内N-H⋯N氢键的形成。分子堆积不涉及经典的分子间氢键相互作用;然而,存在C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2344/3238862/1fd15a75ceb9/e-67-o3195-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2344/3238862/db8d9e38059c/e-67-o3195-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2344/3238862/1fd15a75ceb9/e-67-o3195-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2344/3238862/db8d9e38059c/e-67-o3195-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2344/3238862/1fd15a75ceb9/e-67-o3195-fig2.jpg

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