The crystal structure of tezacaftor Form A has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Tezacaftor Form A crystallizes in space group C2 (#5) with a = 21.05142(6), b = 6.60851(2), c = 17.76032(5) Å, β = 95.8255(2)°, V = 2458.027(7) Å3, and Z = 4. The crystal structure is dominated by van der Waals interactions. O–H⋯O hydrogen bonds link the molecules in chains along the b-axis, and there are a variety of C–H⋯O hydrogen bonds, both intra- and intermolecular. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

中文翻译：

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tezacaftor A型的晶体结构，C26H27F3N2O6

tezacaftor A 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。Tezacaftor A 型在空间群中结晶C2(#5) 与一种= 21.05142(6),b= 6.60851(2),C= 17.76032(5) 埃，β =95.8255(2)°,五= 2458.027(7) Å3， 和Z= 4. 晶体结构以范德华相互作用为主。O-H⋯O氢键将分子链状连接起来b-轴，分子内和分子间都有多种 C-H⋯O 氢键。粉末图案已提交给ICDD®包含在 Powder Diffraction File™ 中（PDF®）。