X-ray powder diffraction data for mosapride dihydrogen citrate dihydrate

The previously unindexed laboratory X-ray powder diffraction data of mosapride dihydrogen citrate dihydrate, an API used to stimulate gastrointestinal motility, has been recorded at room temperature. Using these data, the crystal structure of this API has been refined in space group P21/c (No. 14) w...

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Veröffentlicht in:Powder diffraction 2024-12, Vol.39 (4), p.245-249
Hauptverfasser: Dugarte-Dugarte, Analio J., Toro, Robert A., Henao, José Antonio, Díaz de Delgado, Graciela, Delgado, José Miguel
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Sprache:eng
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Zusammenfassung:The previously unindexed laboratory X-ray powder diffraction data of mosapride dihydrogen citrate dihydrate, an API used to stimulate gastrointestinal motility, has been recorded at room temperature. Using these data, the crystal structure of this API has been refined in space group P21/c (No. 14) with a = 18.707(4) Å, b = 9.6187(1) Å, c = 18.2176(4) Å, β = 114.164(1)°, V = 2990.74(8) Å3, and Z = 4. The structure of this material corresponds to the phase associated with CSD Refcode LUWPOL determined at 93 K. The Rietveld refinement, carried out with TOPAS-Academic, proved the single nature of the sample and the quality of the data recorded.
ISSN:0885-7156
1945-7413
DOI:10.1017/S088571562400040X