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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Determination of the crystal structure of nifedipine form C by synchrotron powder diffraction
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Determination of the crystal structure of nifedipine form C by synchrotron powder diffraction

机译：同步加速器粉末衍射法测定硝苯地平C型晶体结构

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摘要

The crystal structure of the metastable form C polymorph of nifedipine [C17H18N2O6, 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate] was determined by means of direct-space techniques applied to high-resolution synchrotron powder diffraction data. The polymorph crystallizes in the space group and exhibits a molecular packing significantly different from that of the stable modification, with molecules aligned in an orthogonal configuration inside the unit cell. The molecular conformation, on the other hand, remains substantially unmodified between the two polymorphs. Additionally, in situ thermal characterization of nifedipine crystallization behaviour was performed, confirming the nucleation of another metastable polymorph (form B) prior to the complete crystallization of the stable modification. A complete structural characterization of form B was not possible owing to its very limited stability interval.
机译：硝苯地平[C17H18N2O6，3,5-二甲基2,6-二甲基-4-（2-硝基苯基）-1,4-二氢吡啶-3,5-二羧酸酯]的亚稳态C多晶型物的晶体结构被确定。直接空间技术应用于高分辨率同步加速器粉末衍射数据。该多晶型物在空间群中结晶并显示出与稳定修饰的分子堆积显着不同的分子堆积，其中分子在晶胞内以正交构型排列。另一方面，分子构象在两个多晶型物之间基本上保持不变。此外，进行了硝苯地平结晶行为的原位热表征，从而在稳定修饰物完全结晶之前确认了另一种亚稳态多晶型物（晶型B）的成核作用。由于形式B非常有限的稳定性区间，因此无法对其进行完整的结构表征。

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