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N'-(2,6-二甲基苯基)苯甲脒四氢呋喃单溶剂合物的晶体结构

Crystal structure of N'-(2,6-di-methyl-phen-yl)benzene-carboximidamide tetra-hydro-furan monosolvate.

作者信息

Zhao Jian-Ping, Liu Rui-Qin, Jiang Zhi-Hao, Bai Sheng-Di

机构信息

Institute of Applied Chemistry, Shanxi University, Taiyuan 030006, People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o28-9. doi: 10.1107/S2056989014026255.

DOI:10.1107/S2056989014026255
PMID:25705489
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4331870/
Abstract

The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine mol-ecules (A and B) with slightly different conformations and two tetra-hydro-furan (THF) solvent mol-ecules. In the amidine mol-ecules, the di-methyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (mol-ecule A) and 58.88 (6) ° (mol-ecule B). In the crystal, N-H⋯N hydrogen bonds link the amidine mol-ecules into [100] C(4) chains of alternating A and B mol-ecules. Both amidine mol-ecules form an N-H⋯O hydrogen bond to an adjacent THF solvent mol-ecule.

摘要

标题化合物C15H16N2·C4H8O的不对称单元包含两个构象略有不同的脒分子（A和B）以及两个四氢呋喃（THF）溶剂分子。在脒分子中，二甲基苯环和NH2基团位于N = C键的同一侧，芳香环之间的二面角分别为54.25 (7)°（分子A）和58.88 (6)°（分子B）。在晶体中，N-H⋯N氢键将脒分子连接成由A和B分子交替排列的[100] C(4)链。两个脒分子均与相邻的THF溶剂分子形成N-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d356/4331870/17ce66705c7b/e-71-00o28-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d356/4331870/84c2f59ee117/e-71-00o28-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d356/4331870/17ce66705c7b/e-71-00o28-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d356/4331870/84c2f59ee117/e-71-00o28-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d356/4331870/17ce66705c7b/e-71-00o28-fig2.jpg

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本文引用的文献

1
N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.铝的N-苯甲酰基苯脒配合物：ε-己内酯开环聚合的高效引发剂。
Dalton Trans. 2014 Oct 21;43(39):14816-23. doi: 10.1039/c4dt02026j.
2
N-Cyclo-hexyl-3-methyl-benzamidine.N-环己基-3-甲基苯甲脒
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o520. doi: 10.1107/S1600536813006272. Print 2013 Apr 1.
3
N-o-Tolyl-benzamidine.N-邻甲苯基苯甲脒
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 19;64(Pt 7):o1276. doi: 10.1107/S1600536808017625.
4
Amidinate aluminium complexes: synthesis, characterization and ring-opening polymerization of rac-lactide.酰胺基铝配合物的合成、表征及其对 rac-丙交酯的开环聚合。
Dalton Trans. 2010 Sep 14;39(34):8071-83. doi: 10.1039/c0dt00272k. Epub 2010 Jul 27.
5
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.