肿瘤热敏药氯尼达明的晶体结构研究

Study on Crystal Structure of 1-(2,4-Dichlorobenzyl)-1H-indazole-3-carboxylic Acid

目的氯尼达明的晶体结构研究。方法氯尼达明溶解在冰醋酸中,并控温在45℃结晶,培养出单晶。结果与结论得到新晶型氯尼达明,属三斜晶系,P-1空间群,晶胞参数为a=5.2879(11)A,b=8.1754(16),c=16.768(3),α=80.09(3)°,β=89.89(3)°,γ=80.65(3)°,V=704.4(2)A3,Z=2,F(000)=328,μ(MoKα)=0.465mm-1,R1=0.0477,wR2=0.1018,制剂研究证明晶型药物的制剂的溶出度明显优于无定形,更利于药物体内吸收。

OBJECTIVE To study the crystal structure of 1- （ 2,4-Dichlorobenzyl） -1H -indazole-3-carboxylic acid. METHODS It was crystalized in glacial acitic acid at 45 ℃. Its single crystal was cultivated and the structure was characterized by X-ray single crystal diffraction analysis. RESULTS AND CONCLUSION The experimental results show that the new crystal structure belongs to triclinic, space group P-1 with unit cell parameters a = 5. 2879 （11）A, b = 8. 175 4 （16）A, c = 16. 768 （3）A, α = 80. 09 （3）°, β = 89. 89（3）°, γ=80. 65（3）°,V =704. 4（2）A3,Z =2,F（000） =328,μ（Mo Kα） =0. 465 mm- 1 ,R1 =0. 047 7,wR2 =0. 101 8. It is preferably a crystalline polymorph having a relatively small panicle size, which is expected to stabilize the 1-（ 2,4-Dichlorobenzyl）- 1H-indazole-3-carboxylic acid. It is better than amorphous and has better bioactivity and therapeutic actvity.