Crystal structure of 2,5-dihydroxyterephthalic acid from powder diffraction data

Crystal structure of 2,5-dihydroxyterephthalic acid from powder diffraction data

The crystal structure of anhydrous 2,5-dhydroxyterephthalic acid, C8H6O6, was solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The published structure of 2,5-dihydroxyterephthalic acid dihydrate was also optimized. The carboxylic a...

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Bibliographic Details
Main Authors: Joshua D. Vegetabile, James A. Kaduk
Format: Article
Language:English
Published: International Union of Crystallography 2022-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
powder diffraction
2,5-dihydroxyterephthalic acid
rietveld refinement
density functional theory
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989022009409

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989022009409

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