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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Streek, Jacco Van De
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Publications (5/5 displayed)
- 2023Hydrogen bonding patterns and C—H...π interactions in the structure of the antiparkinsonian drug (<i>R</i>)-rasagiline mesylate determined using laboratory and synchrotron X-ray powder diffraction datacitations
- 2022Crystal structure from laboratory X-ray powder diffraction data, DFT-D calculations, and Hirshfeld surface analysis of (<i>S</i>)-dapoxetine hydrochloridecitations
- 2022Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (<i>RS</i>)-trichlormethiazidecitations
- 2012Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculationscitations
- 2009Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C<sub>23</sub>H<sub>21</sub>N<sub>5</sub>O<sub>9</sub>citations
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article
Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C<sub>23</sub>H<sub>21</sub>N<sub>5</sub>O<sub>9</sub>
Abstract
<jats:p>The crystal structure of the nanocrystalline α 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 α phase is consistent with the determined crystal structure. The β 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 β phase to have a columnar structure with a similar local structure as the α phase and a domain size in column direction of approximately 4 nm.</jats:p>