First crystal structure of a Pigment Red 52 compound: DMSO solvate hydrate of the monosodium salt

  • Pigment Red 52, Na2[C18H11ClN2O6S], is an industrially produced hydrazone-laked pigment. It serves as an inter­mediate in the synthesis of the corresponding Ca2+ and Mn2+ salts, which are used commercially for printing inks and lacquers. Hitherto, no crystal structure of any salt of Pigment Red 52 is known. Now, single crystals have been obtained of a dimethyl sulfoxide solvate hydrate of the monosodium salt of Pigment Red 52, namely, monosodium 2-[2-(3-carb­oxy-2-oxo-1,2-di­hydro­naphthalen-1-yl­idene)hydrazin-1-yl]-5-chloro-4-methyl­benz­ene­sulfonate dimethyl sulfoxide monosolvate monohydrate, Na+·C18H12ClN2O6S−·H2O·C2H6OS, obtained from in-house synthesized Pigment Red 52. The crystal structure was determined by single-crystal X-ray diffraction at 173 K. In this monosodium salt, the SO3− group is deprotonated, whereas the COOH group is protonated. The residues form chains via ionic inter­actions and hydrogen bonds. The chains are arranged in polar/non-polar double layers.

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Author:Lukas TapmeyerORCiDGND, Daniel Eisenbeil, Michael BolteORCiD, Martin U. SchmidtGND
Parent Title (English):Acta Crystallographica. Section E, Crystallographic communications
Publisher:International Union of Crystallography
Place of publication:Chester
Document Type:Article
Date of Publication (online):2021/03/19
Date of first Publication:2021/03/19
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2023/09/18
Tag:crystal structure determination; hydrate; organic pigment; solvate
Page Number:11
First Page:402
Last Page:405
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):License LogoCreative Commons - CC BY - Namensnennung 4.0 International