Simvastatin: structure solution of two new low-temperature phases from synchrotron powder diffraction and ss-NMR

被引:24
|
作者
Husak, Michal [1 ]
Kratochvil, Bohumil [1 ]
Jegorov, Alexandr [2 ]
Brus, Jiri [3 ]
Maixner, Jaroslav [4 ]
Rohlicek, Jan [1 ]
机构
[1] Prague Inst Chem Technol, Dept Solid State Chem, CR-16628 Prague 6, Czech Republic
[2] Teva Czech Ind, Res & Dev, Ceske Budejovice 37005, Czech Republic
[3] Acad Sci Czech Republic, Inst Macromol Chem, CR-16206 Prague 6, Czech Republic
[4] Prague Inst Chem Technol, Cent Labs, CR-16628 Prague 6, Czech Republic
关键词
Crystal structure; Simvastatin; Powder diffraction; Solid-state NMR;
D O I
10.1007/s11224-009-9579-9
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Simvastatin is a substance used for the treatment of hypercholesterolemia. In addition to the already known room temperature structure of simvastatin (ejka et al. in Acta Cryst C59:o428, 2003) two new low-temperature polymorphs were found by X-ray powder diffraction with the phase transition at 261 and 223 K (later confirmed by DSC to be 272 and 232 K). The main differences among three polymorphs consist in the side-chains conformation only and the phase changes are fully reversible. The structures of the polymorphs were studied by the powder diffraction based on synchrotron radiation as well as by solid-state NMR spectroscopy.
引用
收藏
页码:511 / 518
页数:8
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