The crystal structure of edoxaban tosylate monohydrate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Edoxaban tosylate monohydrate crystallizes in space group P21 (#4) with a = 7.55097(2), b = 7.09010(2), c = 32.80420(21) Å, β = 96.6720(3)°, V = 1744.348(6) Å3, and Z = 2. The crystal structure consists of alternating layers of edoxaban cations and tosylate anions along the c-axis. The water molecules lie near the sulfonate end of the tosylate anions. The solid-state conformation of the edoxaban cation is determined by intermolecular interactions. The protonated nitrogen atom forms a strong N–H⋯O hydrogen bond to one of the tosylate oxygens. Only one of the water molecule hydrogens acts as a donor in an O–H⋯O hydrogen bond. The tosylate oxygens act as acceptors in a number of C–H⋯O hydrogen bonds. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™.

中文翻译：

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依度沙班甲苯磺酸盐一水合物 I 型 (C24H31ClN7O4S)(C7H7O3S)(H2O) 的晶体结构

依多沙班甲苯磺酸盐一水合物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。依多沙班甲苯磺酸盐一水合物在空间群中结晶磷21(#4) 与一种= 7.55097(2),b= 7.09010(2),C= 32.80420(21) 埃，β =96.6720(3)°,五= 1744.348(6) Å3， 和Z= 2. 晶体结构由依多沙班阳离子和甲苯磺酸根阴离子的交替层组成C-轴。水分子位于甲苯磺酸根阴离子的磺酸端附近。依度沙班阳离子的固态构象由分子间相互作用决定。质子化的氮原子与甲苯磺酸盐氧之一形成强 N-H⋯O 氢键。只有一个水分子氢作为 O-H⋯O 氢键中的供体。甲苯磺酸盐氧在许多 C-H⋯O 氢键中充当受体。粉末图案已提交给ICDD®包含在粉末衍射文件™中。