The crystal structure of bisoprolol fumarate Form I has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Bisoprolol fumarate Form I crystallizes in space group P-1 (#2) with a = 8.165 70(5) Å, b = 8.516 39(12) Å, c = 16.751 79(18) Å, α = 89.142(1)°, β = 78.155(1)°, γ = 81.763(1)°, V = 1128.265(10) Å3, and Z = 2. The neutral side chain of the bisoprolol cation is probably disordered. The cation and anion are linked by N–H⋯O and O–H⋯O hydrogen bonds. The cations are also linked by N–H⋯O hydrogen bonds. The result is alternating layers of hydrophilic and hydrophobic layers parallel to the ab-plane. The density of the structure is relatively low at 1.130 g cm−3, but there are no obvious voids in the structure. The powder pattern is included in the Powder Diffraction File™ as entry 00-066-1625.

中文翻译：

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富马酸比索洛尔 I 型的晶体结构 (C18H32NO4) (C4H2O4)0.5

富马酸比索洛尔 I 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。富马酸比索洛尔 I 型在空间群中结晶磷-1 (#2) 与一种= 8.165 70(5) 埃，b= 8.516 39（12）埃，C= 16.751 79（18）埃，α= 89.142(1)°,β= 78.155(1)°,γ= 81.763(1)°,五= 1128.265(10) Å3， 和Z= 2. 比索洛尔阳离子的中性侧链可能是无序的。阳离子和阴离子通过 N-H⋯O 和 O-H⋯O 氢键连接。阳离子也通过 N-H⋯O 氢键连接。结果是交替的亲水层和疏水层平行于抗体-飞机。该结构的密度相对较低，为 1.130 g cm-3，但结构中没有明显的空隙。粉末图案作为条目 00-066-1625 包含在 Powder Diffraction File™ 中。