ISSN:
1600-5767
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Geosciences
,
Physics
Notes:
The crystal structure of the yellow pigment 2,5-dihydroxybenzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one (C18H10N2O3) was determined from powder data. The crystal structure was solved by minimizing the intermolecular energy starting from random packings. Subsequently, the structure was refined by rigid-body Rietveld analysis, using synchrotron powder data. The refinement included several intramolecular degrees of freedom. The compound crystallizes in Pna21, Z\,=\,4, with lattice parameters a\,=\,13.2759 (3), b\,=\,20.9561 (5), c\,=\,4.7798 (1) Å, and V\,=\,1329.79 (5) Å3. The crystal consists of planar molecules, connected by hydrogen bonds of the types O–H...OH and O–H...N, which form a three-dimensional hydrogen-bond network.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0021889898011157
Permalink