Abstract

The cyclohexene derivative 5'-amino-4,4''-dichloro-2'-nitro-2',3'-dihydro-[1,1':3',1''-terphenyl]-4',4',6'(1'H)-tricarbonitrile-dimethyl sulfoxide has been synthesised via one-pot pseudo five component reaction and its crystal structure is determined by X-ray analysis. The crystal is triclinic and its space group is P\(\bar {1}\) with unit cell parameters a = 9.8187(6) Å, b = 9.9413(6) Å, c = 13.6838(9) Å, α = 94.858(5)°, β = 98.693(5)°, γ = 97.119(5)°, and Z = 2. The crystal structure has been solved by direct methods and refined by full matrix least squares procedure to a final R value of 0.0687 for 1731 reflections. The cyclohexene ring B is twisted with respect to chlorophenyl rings A and C at angles of 51.9(5)° and 36.3(6)°, respectively. The crystal structure is stabilized by N–H⋅⋅⋅O and N–H⋅⋅⋅S hydrogen bonds involving the DMSO solvent molecule.

中文翻译：

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5'-氨基-4,4''-二氯-2'-硝基-2'，3'-二氢-[1,1'：3'，1''-三联苯]-的合成，表征和晶体结构4'，4'，6'（1'H）-三腈-二甲基亚砜

摘要

环己烯衍生物5'-氨基-4,4''-二氯-2'-硝基-2'，3'-二氢-[1,1'：3'，1''-三联] -4'，4' ，6“ - （1” ħ）-tricarbonitrile二甲基亚砜已经经由一锅煮伪五个分量反应合成和其晶体结构通过X射线分析测定。晶体为三斜晶，其空间群为P \（\ bar {1} \），其晶胞参数a = 9.8187（6）Å，b = 9.9413（6）Å，c = 13.6838（9）Å，α= 94.858 （5）°，β= 98.693（5）°，γ= 97.119（5）°，Z =2。该晶体结构已通过直接方法求解，并通过全矩阵最小二乘法进行精炼，最终R值为0.0687进行1731次反射。B相对于氯苯基环A和C分别以51.9（5）°和36.3（6）°的角度扭曲。晶体结构通过涉及DMSO溶剂分子的NH···O和N·H···S氢键而稳定。