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1-（4-氟苯基）双胍-1-氯化铵

1-(4-Fluoro-phen-yl)biguanid-1-ium chloride.

作者信息

Tutughamiarso Maya, Bolte Michael

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2648. doi: 10.1107/S1600536810037785.

DOI:10.1107/S1600536810037785
PMID:21587619
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983160/
Abstract

The title compound, C(8)H(11)FN(5) (+)·Cl(-), crystallized with a monoprotonated 1-(4-fluoro-phen-yl)biguanidinium cation and a chloride anion in the asymmetric unit. The biguanidium group is not planar [dihedral angle between the two CN(3) groups = 52.0 (1)°] and is rotated with respect to the phenyl group [τ = 54.3 (3)°]. In the crystal, N-H⋯N hydrogen-bonded centrosymmetric dimers are connected into ribbons, which are further stabilized by N-H⋯Cl interactions, forming a three-dimensional hydrogen-bonded network.

摘要

标题化合物C(8)H(11)FN(5) (+)·Cl(-)在不对称单元中以单质子化的1-(4-氟苯基)双胍阳离子和氯离子结晶。双胍基团不是平面的[两个CN(3)基团之间的二面角 = 52.0 (1)°]，并且相对于苯基旋转[τ = 54.3 (3)°]。在晶体中，N-H⋯N氢键连接的中心对称二聚体连接成带状，通过N-H⋯Cl相互作用进一步稳定，形成三维氢键网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/63ef/2983160/65f66ac02a70/e-66-o2648-fig1.jpg

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本文引用的文献

1
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.
2
Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT1, 5-HT2, and 5-HT3 receptor subtypes.基于晶体学数据的血清素受体配体的立体化学。NAN-190·HBr、1-苯基双胍、MDL 72222和盐酸米安色林的晶体结构以及对5-HT1、5-HT2和5-HT3受体亚型的选择性标准。
Acta Crystallogr B. 1996 Jun 1;52 ( Pt 3):509-18. doi: 10.1107/s0108768195014765.

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