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Crystal structure of eltrombopag olamine Form I, (C2H8NO)2 (C25H20N4O4)
Powder Diffraction ( IF 0.5 ) Pub Date : 2021-03-03 , DOI: 10.1017/s0885715621000099
James A. Kaduk , Amy M. Gindhart , Thomas N. Blanton

The crystal structure of eltrombopag olamine Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Eltrombopag olamine crystallizes in the space group P21/n (#14) with a = 17.65884(13), b = 7.55980(2), c = 22.02908(16) Å, β = 105.8749(4)°, V = 2828.665(11) Å3, and Z = 4. The crystal structure is dominated by columns of hydrogen-bonded cations and anions along the short b-axis. van der Waals interactions bind the columns together. Two H atoms of each ammonium group in the ethanolammonium cations participate in strong hydrogen bonds, and the third H forms weaker bifurcated H-bonds. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

中文翻译:

艾曲波帕奥胺 I 型 (C2H8NO)2 (C25H20N4O4) 的晶体结构

艾曲波帕奥胺 I 型的晶体结构已使用同步加速器 X 射线粉末衍射数据进行求解和改进,并使用密度泛函技术进行了优化。艾曲波帕奥胺在空间群中结晶21/n(#14)与一种= 17.65884(13),b= 7.55980(2),C= 22.02908(16) 埃,β =105.8749(4)°,= 2828.665(11) Å3, 和Z= 4. 晶体结构以氢键阳离子和阴离子柱为主b-轴。范德华相互作用将列绑定在一起。乙醇铵阳离子中每个铵基的两个 H 原子参与强氢键,第三个 H 形成较弱的分叉 H 键。粉末图案已提交给 ICDD® 以包含在 Powder Diffraction File™ (PDF®) 中。
更新日期:2021-03-03
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