对溴苯胺磷酸二氢盐的晶体结构——一种依靠氢键构筑的双层结构

Hydrogen-Bonded Bilayered Structure of 4-Bromo-aminobenzene Dihydrogenphosphate

合成了标题化合物对溴苯胺磷酸二氢盐并对其晶体结构进行了测定 .晶体数据 :[p- Br( C6 H4 ) NH3][H2 PO4 ],Mr=2 70 .0 2 ,正交晶系 ,空间群为 Pbca,a=0 .980 5 ( 2 ) nm,b=0 .7875 ( 2 ) nm,c=2 .5 5 0 6( 11) nm,V=1.969( 1) nm3,Z=8,Dx=1.82 1g/ cm3,μ=4 .3 2 m m- 1 .结构偏离因子 R=0 .0 4 9,Rw=0 .0 5 6.结构测定表明 ,磷酸二氢根依靠氢键形成层状结构 ,对溴苯胺依靠氨基与磷酸二氢根之间的氢键分布在上述层的两侧形成双层结构 .

The title salt has been synthesized and its crystal structure was determined by X-ray diffraction methods. The crystallographic: [p-Br(C 6H 4)NH + 3][H 2PO - 4], Mr= 270.02 orthorhombic, space group Pbca, a=0.980 5(2)nm, b=0.787 5(2)nm, c=2.550 6(11)nm, V=1.969(1)nm 3, Z=8,D x= 1.821 g/cm 3,μ=4.32 mm -1 . R= 0.049, R w=0.056.The results show that the phosphate groups and the amino group of the cations are interlinked by hydrogen bonds to form a bilayer with the phenyl groups extending outward from both sides.