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N-环己基-3-甲基苯甲脒

N-Cyclo-hexyl-3-methyl-benzamidine.

作者信息

Liu Rui-Qin, Bai Sheng-Di, Wang Tao

机构信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o520. doi: 10.1107/S1600536813006272. Print 2013 Apr 1.

DOI:10.1107/S1600536813006272
PMID:23634064
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629577/
Abstract

The title amidine compound, C14H20N2, prepared by a one-pot reaction, is asymmetric as only one N atom has an alkyl substituent. The terminal cyclo-hexyl group connected to the amino N atom is located on the other side of the N-C-N skeleton to the 4-methylbenzene ring and has a chair conformation. The dihedral angle between the phenyl ring and the NCN plane is 47.87 (12)°. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains propagating along the a-axis direction.

摘要

通过一锅法反应制备的标题脒化合物C₁₄H₂₀N₂是不对称的,因为只有一个N原子具有烷基取代基。连接到氨基N原子上的末端环己基位于N-C-N骨架与4-甲基苯环的另一侧,具有椅式构象。苯环与NCN平面之间的二面角为47.87 (12)°。在晶体中,分子通过N-H⋯N氢键相连,形成沿a轴方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/05f4/3629577/89165f8ffab4/e-69-0o520-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/05f4/3629577/4ed87a10045f/e-69-0o520-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/05f4/3629577/89165f8ffab4/e-69-0o520-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/05f4/3629577/4ed87a10045f/e-69-0o520-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/05f4/3629577/89165f8ffab4/e-69-0o520-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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A convenient route to silyl linked bis(amidinate) ligands and synthesis of group(I) metal derivatives.一种通往硅基连接的双(脒基)配体的便捷途径及第(I)族金属衍生物的合成。
Dalton Trans. 2006 May 14(18):2244-50. doi: 10.1039/b516283a. Epub 2006 Mar 3.
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Application of neutral amidines and guanidines in coordination chemistry.中性脒和胍在配位化学中的应用。
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