Orientational disorder of mono­methyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations

Schlesinger, C.; Hammer, S.M.; Gorelik, T.E.; Schmidt, M.U.

doi:10.1107/S2052520620003984

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
Chemical structure of 2-monomethyl-quinacridone (MMQ). In the average structure the molecule is situated on a crystallographic inversion centre, leading to head-to-tail orientational disorder, with the methyl group being disordered with H9.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 3| June 2020| Pages 353-365

https://doi.org/10.1107/S2052520620003984

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