Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9.
The crystal structure of the nanocrystalline alpha 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 alpha phase is consistent with the determined crystal structure. The beta 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 beta phase to have a columnar structure with a similar local structure as the alpha phase and a domain size in column direction of approximately 4 nm.
Schmidt
Martin U
MU
Goethe Universität, Institut für Anorganische und Analytische Chemie, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany. m.schmidt@chemie.uni-frankfurt.de
Brühne
Stefan
S
Wolf
Alexandra K
AK
Rech
Anette
A
Brüning
Jürgen
J
Alig
Edith
E
Fink
Lothar
L
Buchsbaum
Christian
C
Glinnemann
Jürgen
J
van de Streek
Jacco
J
Gozzo
Fabia
F
Brunelli
Michela
M
Stowasser
Frank
F
Gorelik
Tatiana
T
Mugnaioli
Enrico
E
Kolb
Ute
U
D001372:Aza Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D004396:Coloring Agents / Q000138:chemical synthesis / Q000737:chemistry*; D006576:Heterocyclic Compounds, 4 or More Rings / Q000138:chemical synthesis / Q000737:chemistry*; D046529:Microscopy, Electron, Transmission; D008958:Models, Molecular; D008968:Molecular Conformation; D010316:Particle Size; D033362:Powder Diffraction
D001372:Aza Compounds; D004396:Coloring Agents; D006576:Heterocyclic Compounds, 4 or More Rings; C541229:pigment yellow 213