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3-{(E)-[1-(2-羟基苯基)亚乙基]氨基}-1-(2-甲基苯基)硫脲

3-{(E)-[1-(2-Hy-droxy-phen-yl)ethyl-idene]amino}-1-(2-methyl-phen-yl)thio-urea.

作者信息

Salam Md Abdus, Affan Md Abu, Asaruddin Mohd Razip, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1164. doi: 10.1107/S1600536811013729. Epub 2011 Apr 16.

Abstract

In the title thio-urea derivative, C(16)H(17)N(3)OS, the hy-droxy- and methyl-substituted benzene rings form dihedral angles of 9.62 (12) and 55.69 (6)°, respectively, with the central CN(3)S chromophore (r.m.s. deviation = 0.0117 Å). An intra-molecular O-H⋯N hydrogen bond ensures the coplanarity of the central atoms. The H atoms of the NH groups are syn and the conformation about the N=C double bond [1.295 (4) Å] is E. In the crystal, helical supra-molecular chains sustained primarily by N-H⋯S hydrogen bonds are found. Additional stabilization is provided by C-H⋯π and π-π [ring centroid(hy-droxy-benzene)⋯ring centroid(methyl-benzene) = 3.8524 (18) Å] inter-actions.

摘要

在标题硫脲衍生物C(16)H(17)N(3)OS中,羟基和甲基取代的苯环分别与中心CN(3)S发色团形成9.62 (12)°和55.69 (6)°的二面角(均方根偏差 = 0.0117 Å)。分子内O-H⋯N氢键确保了中心原子的共面性。NH基团的H原子是顺式的,N=C双键[1.295 (4) Å]的构象为E型。在晶体中,发现主要由N-H⋯S氢键维持的螺旋超分子链。C-H⋯π和π-π[环心(羟基苯)⋯环心(甲基苯) = 3.8524 (18) Å]相互作用提供了额外的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5581/3089068/ab461c472817/e-67-o1164-fig1.jpg

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