N-羟基-5-溴苯基-2-偕胺肟合成及晶体结构

标题化合物C7H7BrN2O是由4-溴苯腈C7H4BrN与盐酸羟胺H3NO.HCl在碳酸钠Na2CO3溶液中反应而得,结构通过单晶X-射线衍射分析确定,其晶体属于单斜晶系,空间群P21/c,a=8.1334（16）,b=12.965（3）,c=7.6476（15）,β=90.12（3）°,Mr=215.06,V=806.4（3）3,Z=4,μ=5.04 mm-1,F（000）=424,R=0.037,wR=0.085。X-衍射分析表明标题化合物是一个有机化合物,苯环与肟基不共面,形成二面角35.6（7）／%。O1-N2-C7-C6与C-6的扭转角为177.7（3）／%。在晶体结构中,分子通过分子间O-H...N,形成了立体网络。

Synthesis and Crystal Structure of N-hydroxy-5-bromophenyl-2-carboxamidine

Title compound N-hydroxy-5-bromophenyl-2-carboxamidine（C7H7BrN2O） was synthesized by the reaction of 4-bromoxynil and hydroxylamine hydrochloride in sodium carbonate solution.Its structure was determined by single-crystal X-ray diffraction.As a monoclinic crystal,its space group P21/c,a = 8.1334（16） ,b = 12.965（3）,c = 7.6476（15）,β = 90.12（3）°,Mr = 215.06,V = 806.4（3） 3,Z = 4,μ= 5.04 mm-1,F（000） = 424,R = 0.037,wR = 0.085.X-ray diffraction analysis shows that the title compound is an organic compound.The benzene ring is not coplanar with the oxime groups,making a dihedral angle of 35.6（7）.The torsion angle between O1-N2-C7-C6 and C-6 of the ring system is 177.7（3）.In the crystal,a three-dimensional network is formed with molecules liked through intermolecular O-H...N.