X-ray powder diffraction data for mosapride dihydrogen citrate dihydrate

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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Crystal structure
Geometry
Hydrogen
Laboratories
Molecular structure
New Diffraction Data
Room temperature
Software
X ray powder diffraction
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container_end_page 249
container_issue 4
container_start_page 245
container_title Powder diffraction
container_volume 39
creator Dugarte-Dugarte, Analio J.
Toro, Robert A.
Henao, José Antonio
Díaz de Delgado, Graciela
Delgado, José Miguel
description 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.
doi_str_mv 10.1017/S088571562400040X
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subjects Crystal structure
Geometry
Hydrogen
Laboratories
Molecular structure
New Diffraction Data
Room temperature
Software
X ray powder diffraction
title X-ray powder diffraction data for mosapride dihydrogen citrate dihydrate
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