M. Schmidt, Christian Buchsbaum, J. Schnorr
2007
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Abstract
Pigment Orange 5, also known as “Dinitroaniline Orange”, is an industrially produced azo pigment. The structure was solved from routinely measured lab X-ray powder data without indexing, by means of a newly developed combination of lattice energy minimization and simultaneous fit to the X-ray powder diagram. Finally, the structure was refined by Rietveld methods using restraints. Pigment Orange 5 crystallizes in space group P21/a with a = 16.365(5) Å, b = 12.874(4) Å, c = 6.924(2) Å, β = 100.143(2)°, Z = 2. The molecules are almost planar and form stacks along the c axis.