The crystal structure of indacaterol hydrogen maleate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Indacaterol hydrogen maleate crystallizes in space group P-1 (#24) with a = 8.86616(9), b = 9.75866(21), c = 16.67848(36) Å, α = 102.6301(10), β = 94.1736(6), γ = 113.2644(2)°, V = 1273.095(7) Å3, and Z = 2 at 295 K. The crystal structure consists of layers of cations and anions parallel to the ab-plane. Traditional N–H⋯O and O–H⋯O hydrogen bonds link the cations and anions into chains along the a-axis. There is a strong intramolecular charge-assisted O–H⋯O hydrogen bond in the non-planar hydrogen maleate anion. There are also two C–H⋯O hydrogen bonds between the anion and cation. The cation makes a strong N–H⋯O hydrogen bond to the anion, but also acts as a hydrogen bond donor to an aromatic C in another cation. The amino group makes bifurcated N–H⋯O hydrogen bonds, one intramolecular and the other intermolecular. The hydroxyl group acts as a donor to another cation. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

中文翻译：

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马来酸氢茚达特罗晶体结构(C24H29N2O3)(HC4H2O4)

使用同步加速器 X 射线粉末衍射数据解析和精炼了茚达特罗马来酸氢盐的晶体结构，并使用密度泛函技术进行了优化。茚达特罗马来酸氢盐在空间群中结晶磷-1 (#24) 与A= 8.86616(9),乙= 9.75866(21),C= 16.67848(36) 埃,α= 102.6301(10), β = 94.1736(6),γ= 113.2644(2)°,V= 1273.095(7) 埃3， 和Z= 2 (295 K)。晶体结构由平行于晶体结构的阳离子层和阴离子层组成ab-飞机。传统的 N-H⋯O 和 O-H⋯O 氢键将阳离子和阴离子沿着A-轴。非平面马来酸氢阴离子中存在强分子内电荷辅助的O-H⋯O氢键。阴离子和阳离子之间还有两个C–H⋯O氢键。该阳离子与阴离子形成强的 N-H⋯O 氢键，但也充当另一个阳离子中芳香族 C 的氢键供体。氨基形成分叉的 N-H⋯O 氢键，一个在分子内，另一个在分子间。羟基充当另一种阳离子的供体。粉末图案已提交给 ICDD 以包含在粉末衍射文件™ (PDF®) 中。