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PV-Rot HF2B has the structure formula n-Butyl-2-{2-oxo-3-[N-(2-oxo-2,3-dihydro-5-benzimidazolyl)-carbamoyl]-naphthylidenhydrazino}-benzoat. Like other “Azo”-pigmentes the molecule is the hydrazono- and not the azo-tautomer. It crystallizes in the triclinic space group  P [unk] with 2 molecules in the cell. Together with 3 intramolecular hydrogen bonds there are two intermolecular hydrogen bonds within layers parallel to (0[unk]3).

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Molecular and crystal structure of C.I. Pigment Red 208, 12514, n-Butyl-2-{2-oxo-3-[N-(2-oxo-2,3-dihydro-5-benzimidazolyl)-carbamoyl]-naphthylidenhydrazino}-benzoat (PV-Rot HF2B)