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N-[(2,6-二乙基苯基)氨基甲硫酰基]-2,2-二苯基乙酰胺

N-[(2,6-Di-ethyl-phen-yl)carbamo-thio-yl]-2,2-di-phenyl-acetamide.

作者信息

Yusof Mohd Sukeri Mohd, Razali Nur Rafikah, Arshad Suhana, Rahman Azhar Abdul, Razak Ibrahim Abdul

机构信息

Department of Chemical Sciences, Faculty of Science and Technology, Universiti Malaysia Terengganu, Mengabang Telipot, 21030 Kuala Terengganu, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 25;69(Pt 6):o967. doi: 10.1107/S1600536813013354. Print 2013 Jun 1.

DOI:10.1107/S1600536813013354
PMID:23795124
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685105/
Abstract

In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38 (9) and 55.32 (9)° with the terminal benzene rings. The mol-ecule adopts a trans-cis conformation with respect to the orientations of the di-phenyl-methane and 1,3-di-ethyl-benzene groups with respect to the S atom across the C-N bonds. This conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-ecules into inversion dimers, forming R 2 (2)(6) loops. The dimer linkage is reinforced by a pair of C-H⋯S hydrogen bonds, which generate R 2 (2)(8) loops. Weak C-H⋯π and π-π [centroid-centroid seperation = 3.8821 (10) Å] inter-actions also occur in the crystal structure.

摘要

在标题化合物C₂₅H₂₆N₂OS中,二乙基亚苯基环与末端苯环形成的二面角分别为67.38 (9)°和55.32 (9)°。就二苯基甲烷和1,3 - 二乙苯基团相对于硫原子跨越碳 - 氮键的取向而言,该分子呈反式 - 顺式构象。这种构象通过分子内N - H⋯O氢键得以稳定,该氢键形成了一个S(6)环。在晶体中,成对的N - H⋯S氢键将分子连接成反演二聚体,形成R₂²(6)环。二聚体连接通过一对C - H⋯S氢键得到加强,这对氢键形成了R₂²(8)环。晶体结构中还存在弱的C - H⋯π和π - π[质心 - 质心间距 = 3.8821 (10) Å]相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/950a/3685105/07d5ad869fa9/e-69-0o967-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/950a/3685105/cde507c6d58d/e-69-0o967-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/950a/3685105/07d5ad869fa9/e-69-0o967-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/950a/3685105/cde507c6d58d/e-69-0o967-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/950a/3685105/07d5ad869fa9/e-69-0o967-fig2.jpg

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