Article,

Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9

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Acta Cryst. B, 65 (2): 189--199 (April 2009)
DOI: 10.1107/s0108768109003759

Abstract

The crystal structure of the nanocrystalline ? phase of Pigment Yellow 213 (P.Y. 213) was solved by a combination of single-crystal electron diffraction and X-ray powder diffraction, despite the poor crystallinity of the material. The molecules form an efficient dense packing, which explains the observed insolubility and weather fastness of the pigment. The pair-distribution function (PDF) of the ? phase is consistent with the determined crystal structure. The ? phase of P.Y. 213 shows even lower crystal quality, so extracting any structural information directly from the diffraction data is not possible. PDF analysis indicates the ? phase to have a columnar structure with a similar local structure as the ? phase and a domain size in column direction of approximately 4 nm.

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