3,5-二溴-4-羟基苯甲醛的鉴定及其晶体结构

Identification and CrystaI Structure of 3,5-Dibromo-4-hydroxybenzaldehyde

3,5-二溴 - 4-羟基苯甲醛晶体经X射线结构分析表明 ,晶体属单斜晶系 ,空间群为P2 (l) /m。晶体学参数 :a=4.30 0 3(7) ,b =1 4.1 2 2 (l) ,c=6.6958(8) A ,β =1 0 0 .0 6(1 )°,V =40 0 .38(9)A。3,Z =2 ,Mr=2 79.92 ,Dc=2 .32 2 g/cm3,μ =1 0 .0 65mm- 1 ,F(0 0 0 ) =2 64。偏离因子R =0 .0 381 ,wR =0 .0 883,S =0 .91 4,(△ρ) max=0 .0 4 78eA。 - 3。分子具有镜面对称。分子中 ,醛基为取向无序。

The crystal structure of 3,5-dibromo-4-hydroxybenzaldehyde has been determined.Crystal data:monoclinic,Space group P2(1)/m,with a=4.3003(7),b=14.122(1),c=6.6958(8),β=100.06(1)°,V=400.38(9)A。 3,Z=2,Mr=279.92,D c=2.322 g/cm 3,μ=10.065 mm -1 ,F(000)=264,R=0.0381,wR=0.0883,S=0.914,(△ρ) max =0.0478eA。 -3 .The analysis shows that there is mirror symmetry in the molecule and aldehyde group is disordered.