Open AccessPamoic acid determined from powder diffraction data
Author(s) -
Haynes Delia A.,
Van de Streek Jacco,
Burley Jonathan C.,
Jones William,
Motherwell W. D. Sam
Publication year - 2006
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536806005812
Subject(s) - rietveld refinement , crystallography , powder diffraction , hydrogen bond , diffraction , crystallization , annealing (glass) , crystal structure , chemistry , hydrogen , materials science , molecule , physics , organic chemistry , optics , metallurgy
The title compound [systematic name: 4,4′‐methylenebis(3‐hydroxy‐2‐naphthoic acid)], C 23 H 16 O 6 , has one half‐molecule in the asymmetric unit. The molecular twofold rotational axis about the central C atom is preserved on crystallization. A chain formed by R 2 2 (8) hydrogen bonds runs along the c axis and an intramolecular O—H⋯O=C—OH hydrogen bond is also formed. The crystal structure was solved by simulated annealing from laboratory X‐ray powder diffraction data, with data collected at room temperature. Rietveld refinement of this model led to a final R wp value of 0.0391 at 1.39 Å resolution.