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

来源：

STRUCTURAL CHEMISTRY | 2010年 / 21卷 / 03期

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

页码：511 / 518

页数：8

共 24 条

[1] Simvastatin: structure solution of two new low-temperature phases from synchrotron powder diffraction and ss-NMR
Michal Hušák
Bohumil Kratochvíl
Alexandr Jegorov
Jiří Brus
Jaroslav Maixner
Jan Rohlíček
Structural Chemistry, 2010, 21 : 511 - 518
[2] Structure solution of low temperature simvastatin polymorphs from synchrotron powder diffraction
Husaki, Michal
Kratochvill, Bohumil
Jegorov, Alexandr
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : C211 - C211
[3] LOW-TEMPERATURE POWDER DIFFRACTION STUDIES USING SYNCHROTRON RADIATION
FITCH, AN
COCKCROFT, JK
PHASE TRANSITIONS, 1992, 39 (1-4) : 161 - 170
[4] LOW-TEMPERATURE STRUCTURE OF KUO2PO4.3D2O DETERMINED FROM COMBINED SYNCHROTRON RADIATION AND NEUTRON POWDER DIFFRACTION MEASUREMENTS
COLE, M
FITCH, AN
PRINCE, E
JOURNAL OF MATERIALS CHEMISTRY, 1993, 3 (05) : 519 - 522
[5] Structure solution from powder diffraction; new developments, applications and avenues
Tremayne, Maryjane
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2012, 68 : S2 - S2
[6] Low-temperature intermediates to oxygen reduction reaction catalysts based on amine-modified metal-loaded carbons. An XPS and ss-NMR investigation
Marzorati, Stefania
Ragg, Enzio M.
Longhi, Mariangela
Formaro, Leonardo
MATERIALS CHEMISTRY AND PHYSICS, 2015, 162 : 234 - 243
[7] Crystal structure determination of 1-pentanol from low-temperature powder diffraction data by Patterson search methods
Ramírez-Cardona, M
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Amigó, JM
Reventós, MM
POWDER DIFFRACTION, 2005, 20 (04) : 311 - 315
[8] New Aspects of Direct Space Structure Solution from Powder Diffraction Data
Harris, K. D. M.
Tedesco, E.
Johnston, R. L.
Turner, G. W.
Kariuki, B. M.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2000, 56 : S131 - S131
[9] Ethylenediamine as a bridging ligand: structure solution of two cadmium(II)-based coordination polymers from powder diffraction data
Putaj, Piotr
Gawel, Bartlomiej
Lasocha, Wieslaw
POWDER DIFFRACTION, 2013, 28 (03) : 207 - 211
[10] DIRECT-METHODS STRUCTURE DETERMINATION FROM SYNCHROTRON POWDER DIFFRACTION DATA OF A NEW CLATHRASIL, TMA SILICATE
BROACH, RW
MCGUIRE, NK
CHAO, CC
KIRCHNER, RM
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1995, 56 (10) : 1363 - 1368

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