A Facile Synthesis and Crystal Structure of 1-Amino-3-(2′-methylphenyl)isoquinolin Hydrochloride

被引：0

作者：

张敏 ^{[1
]}

吕培 ^{[1
]}

曹妍 ^{[1
]}

谢龙观 ^{[1
]}

徐效华 ^{[1
]}

机构：

[1] State Key Laboratory of Elemento-organic Chemistry, Nankai University

来源：

Chinese Journal of Structural Chemistry | 2009年 / 04期

关键词：

isoquinoline; synthesis; crystal structure;

D O I：

10.14102/j.cnki.0254-5861.2009.04.013

中图分类号：

O626 [杂环化合物];

学科分类号：

070303 ; 081704 ;

摘要：

The title compound (C16H15ClN2) has been synthesized by a facile self-condensation of o-tolunitrile promoted by potassium tert-butanolate in DMPU, and its structure was characterized by 1H NMR, 13C NMR, IR, UV, HRMS and X-ray single-crystal diffraction. The crystal belongs to orthorhombic, space group Pna21 with a = 19.560(3), b = 7.8500(14), c = 18.428(3) , Dc = 1.271 g/cm3, Z = 8, λ = 0.71073, μ(MoKα) = 0.257 mm-1, Mr = 270.75, V = 2829.5(8) 3, Flack para-meter = 0.12(12), F(000) = 1136, the final R = 0.0571 and wR = 0.1445 for 2701 observed reflections with I > 2σ(I). The intermolecular N-H···Cl hydrogen bonds link the molecules into a one-dimensional chain running along axis a.

引用

页码：467 / 470

页数：4

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