2,4-二硝基间苯二酚的晶体结构

Crystal Structure of 2,4-Dinitroresorcinol

制备了２，４二硝基间苯二酚的单晶，并用元素分析、ＩＲ和ＤＳＣ对它进行了表征。其晶体结构用四圆衍射仪测定。结果表明，晶体属正交晶系，空间群为Ｐ２１２１２ｌ 。晶体学参数为：ａ ＝ ０ ．４７６１（１）ｎｍ ，ｂ ＝ ０ ．６３７８（１）ｎｍ ，ｃ＝２ ．３９９０（２）ｎｍ ，Ｖ＝ ０．７２８５（４）ｎｍ３ ，Ｚ＝ ４ ，ＤＣ＝ １ ．８２５ｇ·ｃｍ －３ ，μ＝ ０．１６８ｍｍ － １ ，Ｆ（０００） ＝ ４０８ 。

The single crystal of 2,4 dinitroresorcinol was prepared and characterized by elemental analysis,IR and DSC. Its crystal structure was determined by a four circle X ray diffractometer. The results show that the crystal is of orthorhombic system. Space group is P2 12 12 1 with crystal parameters of a =0.4761(1)nm, b = 0.6378(1) nm, c =2.3990(2)nm, V =0.7285(4)nm 3, Z =4, D C=1.825g·cm -3 , μ =0.168mm -1 , F (000) =408.