The crystal structure of oseltamivir phosphate has been refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Oseltamivir phosphate crystallizes in space group P21212 (#18) with a = 24.0079(3), b = 24.6716(2), c = 7.45254(5) Å, V = 4414.24(5) Å3 at 295 K, and Z = 8. Prominent in the crystal structure are hydrogen bonds between the phosphate groups and the ammonium groups of the oseltamivir cations. The strong hydrogen bonds link the cations and the anions into columns parallel to the c-axis, with van der Waals interactions between the columns. Thermal expansion between 120 and 295 K is anisotropic. The powder pattern is included in the Powder Diffraction File™ as entry 00-068-1107.

中文翻译：

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磷酸奥司他韦（达菲®）的粉末 X 射线衍射，C16H31N2O8P

磷酸奥司他韦的晶体结构已使用同步加速器 X 射线粉末衍射数据进行了细化，并使用密度泛函技术进行了优化。磷酸奥司他韦在空间群中结晶磷21212 (#18) 与一种= 24.0079(3),b= 24.6716(2),C= 7.45254(5) 埃，五= 4414.24(5) Å3在 295 K 和Z= 8. 晶体结构中突出的是奥司他韦阳离子的磷酸基团和铵基团之间的氢键。强氢键将阳离子和阴离子连接成平行于C轴，列之间具有范德华相互作用。120 和 295 K 之间的热膨胀是各向异性的。粉末图案作为条目 00-068-1107 包含在 Powder Diffraction File™ 中。