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The crystal structure of C.I. Pigment Yellow 98,  α -(1-hydroxyethylidene)acet-2-methyl-4-chloroanilido- α -azo-(4′-chloro-2′-nitrobenzene), C 17 H 14 O 4 N 4 Cl 2 , has been determined by single crystal X-ray diffraction techniques. It crystallises in the triclinic system with cell parameters  a  = 8.297 ± 0.001 Å,  b  = 10.551 ± 0.002 Å,  c  = 11.856 ± 0.001 Å,  α  = 113.14 ± 0.01°,  β  = 67.84 ± 0.01°,  γ  = 107.88 ± 0.01°. The space group is  P [unk] and there are two molecules per unit cell. The structure was solved by direct methods and least-squares refinement has been completed on three-dimensional data (2806 reflections; Cu Kα  radiation). The hydrogen atoms have been found and included but only those associated with the methyl groups have been refined. The final residual is 6.0%. The molecule exists as the hydrazone tautomer and intramolecular hydrogen bonds keep the molecule approximately planar. The molecules are packed in layers parallel to the (0[unk]3) plane and in columns parallel to the  b  axis. Alternate molecules within the columns are in antiparallel. The molecules are linked by van der Waals forces.

zeitschrift für kristallographie

The crystal structure of aceto-acetanilide azo-pigments IV. C.I. pigment yellow 98,  α -(1-hydroxyethylidene)-acet-2-methyl-4-chloroanilido- α -azo(4′-chloro-2′-nitrobenzene)