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- W2043952179 abstract "The crystal structure of the yellow pigment 2,5-dihydroxybenzo[ de ]benzo[4,5]imidazo[2,1- a ]isoquinolin-7-one (C 18 H 10 N 2 O 3 ) 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 Pna 2 1 , Z ,=,4, with lattice parameters a ,=,13.2759 (3), b ,=,20.9561 (5), c ,=,4.7798 (1) Å, and V ,=,1329.79 (5) Å 3 . 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." @default.
- W2043952179 created "2016-06-24" @default.
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- W2043952179 date "1999-04-01" @default.
- W2043952179 modified "2023-10-15" @default.
- W2043952179 title "Combination of energy minimizations and rigid-body Rietveld refinement: the structure of 2,5-dihydroxybenzo[<i>de</i>]benzo[4,5]imidazo[2,1-<i>a</i>]isoquinolin-7-one" @default.
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- W2043952179 doi "https://doi.org/10.1107/s0021889898011157" @default.
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