Commercial escitalopram oxalate crystallizes as a hydrated adduct with oxalic acid, in the space group P21 with a = 8.029897(21), b = 25.09397(6), c = 11.138930(31) Å, β = 106.7759(2)°, V = 2148.992(7) Å3, and Z = 4. The agreement of the Rietveld and previous single-crystal structures is excellent; the root-mean-square Cartesian displacements of the non-H atoms of the two independent cations are 0.076 and 0.067 Å, respectively. The water molecule refined to a slightly different position and occupancy. The pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-064-1507.

中文翻译：

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艾司西酞普兰草酸草酸水合物的粉末X射线衍射，(C20H21FN2O)2(C2O4)(H2C2O4)(H2O)0.16

商业艾司西酞普兰草酸盐结晶为与草酸的水合加合物，在空间群中磷21和一种= 8.029897(21),b= 25.09397(6),C= 11.138930(31) 埃，β= 106.7759(2)°,五= 2148.992(7) Å3， 和Z= 4. Rietveld 和之前的单晶结构的一致性很好；两个独立阳离子的非 H 原子的均方根笛卡尔位移分别为 0.076 和 0.067 Å。水分子细化到稍微不同的位置和占用。该图案作为条目 00-064-1507 包含在 Powder Diffraction File™ (PDF®) 中。