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2
5-(Adamantan-1-yl)-3-anilinomethyl-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o729. doi: 10.1107/S1600536813009835. Print 2013 May 1.

本文引用的文献

1
5-(Adamantan-1-yl)-3-anilinomethyl-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o729. doi: 10.1107/S1600536813009835. Print 2013 May 1.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

5-（金刚烷-1-基）-3-[(4-氟苯胺基)甲基]-2,3-二氢-1,3,4-恶二唑-2-硫酮

5-(Adamantan-1-yl)-3-[(4-fluoro-anilino)meth-yl]-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.

作者信息

Al-Tamimi Abdul-Malek S, Alafeefy Ahmed M, El-Emam Ali A, Ng Seik Weng, Tiekink Edward R T

机构信息

Department of Pharmaceutical Chemistry, College of Pharmacy, Salman bin Abdulaziz University, Alkharj 11942, Saudi Arabia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 13;69(Pt 5):o730. doi: 10.1107/S1600536813009823. Print 2013 May 1.

DOI:10.1107/S1600536813009823
PMID:23723882
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648262/
Abstract

In the title compound, C19H22FN3OS, the dihedral angle between the inclined oxa-diazole and benzene rings is 52.7 (3)°. In the crystal, helical supra-molecular chains along [100] are sustained by N-H⋯S hydrogen bonds supported by methyl-ene-benzene C-H⋯π inter-actions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.33 (14).

摘要

在标题化合物C₁₉H₂₂FN₃OS中，倾斜的恶二唑环和苯环之间的二面角为52.7 (3)°。在晶体中，沿着[100]方向的螺旋超分子链由N-H⋯S氢键维持，亚甲基-苯C-H⋯π相互作用对其有支持作用。所研究的晶体是一个倒易孪晶，次要组分的分数贡献为0.33 (14)。