摘要
合成了标题化合物 C19H24N7O6PS,通过元素分析、IR和1H NMR对化合物进行了表征,用X-射线单晶衍射法测定了该化合物的晶体结构。结果表明,晶体属三斜晶系,P`1空间群,a = 9.236(1), b = 10.805(1), c = 14.113(1)? a = 109.29(1), b = 98.16(1), g = 106.30(1), V = 1232.3(2)?, Mr = 509.48, Z = 2, Dc = 1.373g/cm3, m (MoKa) = 0.24mm-1, F(000) = 532, 0 < 2q < 50范围内收集3238个独立衍射点,其中可观测衍射点3121个(F2≥8.0sF2)。晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R = 0.073,Rw = 0.074。化合物的分子中,2个取代苯环位于分子主链的同一侧,2苯环平面近于平行。2个取代的叠氮乙基分别位于分子主链的两侧,几乎相互垂直地指向同一个点,形成一种“钳式”构型。2个独立的分子之间以一对NH…O氢键连接形成中心对称的二聚体,成为晶体结构的基本重复单元。
The title compound (C19H24N7O6PS) has been synthesized and characterized by elemental analysis, IR, H NMR and X-ray single-crystal diffraction. The crystal belongs to triclinic system, P`1 space group with = 9.236(1), b = 10.805(1), c = 14.113(1)? a = 109.29(1), b = 98.16(1), g = 106.30(1), V = 1232.3(2)?, r = 509.48, Z = 2, Dc = 1.373g/cm3, m (MoKa) = 0.24mm-1, F(000) = 532, R = 0.073 and Rw = 0.074 for reflections(F2≥8.0sF2). In the molecule of the title compound, the azidoethyl groups sides of the shielding area of a-benzene ring. These two azidoethyl groups are closed perpendicular to each other. Two molecules in the cell are linked by a pair of NH…O hydrogen bonds between the amino H atom and the phosphonic se mers such that the inter-dimer interactions are mainly of the van der Waals type.
基金
国家自然科学基金资助项目(批准号29973005)
