A proposed crystal structure of lifitegrast sesquihydrate Form A, (C29H24Cl2N2O7S)2(H2O)3

A proposed crystal structure of lifitegrast Form A has been derived using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Lifitegrast sesquihydrate Form A crystallizes in space group P21 (#4) with a = 18.2526(4), b = 5.15219(6), c = 30.1962(6) Å, β...

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Veröffentlicht in:	Powder diffraction 2024-12, Vol.39 (4), p.275-282
Hauptverfasser:	Kaduk, James A., Rost, Megan M., Dosen, Anja, Blanton, Thomas N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbonyl groups Carbonyl powders Carboxylic acids Chemical bonds Crystal structure Density functional theory Diffraction patterns Hydrogen bonds New Diffraction Data Synchrotron radiation Water chemistry X ray powder diffraction
Online-Zugang:	Volltext
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