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3-苄基-1-[(1,2,3,4-四氢萘-1-亚基)氨基]硫脲的晶体结构

Crystal structure of 3-benzyl-1-[(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)amino]-thio-urea.

作者信息

Mohamed Shaaban K, Mague Joel T, Akkurt Mehmet, Hassan Alaa A, Abdel-Aziz Ahmed T, Albayati Mustafa R

机构信息

Faculty of Science & Engineering, School of Healthcare Science, Manchester Metropolitan University, Manchester M1 5GD, England; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.

Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71(Pt 12):o974-5. doi: 10.1107/S2056989015021064. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015021064
PMID:26870558
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719930/
Abstract

In the title compound, C18H19N3S, the dihedral angle between the planes of the benzene rings is 58.63 (8)°. The six-membered ring bonded to the thio-semicarbazide group (r.m.s. deviation = 0.038 Å) adopts a sofa conformation, with one of the methyl-ene-group C atoms as the flap. A short intra-molecular N-H⋯N contact is observed. In the crystal, mol-ecules are linked by weak N-H⋯S inter-actions to generate C(4) chains propagating in the [010] direction, with adjacent mol-ecules related by glide symmetry.

摘要

在标题化合物C₁₈H₁₉N₃S中,苯环平面之间的二面角为58.63 (8)°。与硫代氨基脲基团相连的六元环(均方根偏差 = 0.038 Å)呈沙发状构象,其中一个亚甲基C原子为翻盖。观察到一个短的分子内N-H⋯N接触。在晶体中,分子通过弱的N-H⋯S相互作用相连,形成沿[010]方向传播的C(4)链,相邻分子通过滑移对称相关。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ca1/4719930/07b7955f9d7f/e-71-0o974-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ca1/4719930/726abe8525d2/e-71-0o974-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ca1/4719930/07b7955f9d7f/e-71-0o974-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ca1/4719930/726abe8525d2/e-71-0o974-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ca1/4719930/07b7955f9d7f/e-71-0o974-fig2.jpg

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