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颜料红52化合物的首个晶体结构：单钠盐的二甲基亚砜溶剂化物水合物

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

作者信息

Tapmeyer Lukas, Eisenbeil Daniel, Bolte Michael, Schmidt Martin U

机构信息

Institut für Anorganische und Analytische Chemie, Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt am Main, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Mar 19;77(Pt 4):402-405. doi: 10.1107/S2056989021002577. eCollection 2021 Apr 1.

DOI:10.1107/S2056989021002577
PMID:33936765
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8025858/
Abstract

Pigment Red 52, Na[CHClNOS], is an industrially produced hydrazone-laked pigment. It serves as an inter-mediate in the synthesis of the corresponding Ca and Mn 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-carb-oxy-2-oxo-1,2-di-hydro-naphthalen-1-yl-idene)hydrazin-1-yl]-5-chloro-4-methyl-benz-ene-sulfonate dimethyl sulfoxide monosolvate monohydrate, Na·CHClNOS·HO·CHOS, 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 SO group is deprotonated, whereas the COOH group is protonated. The residues form chains ionic inter-actions and hydrogen bonds. The chains are arranged in polar/non-polar double layers.

摘要

颜料红52，即Na[CHClNOS]，是一种工业生产的腙色淀颜料。它是合成相应钙盐和锰盐的中间体，这些盐在商业上用于印刷油墨和漆。迄今为止，颜料红52任何盐的晶体结构都未知。现在，已从内部合成的颜料红52获得了颜料红52单钠盐的二甲基亚砜溶剂化物水合物的单晶，即2-[2-(3-羧基-2-氧代-1,2-二氢萘-1-亚基)肼基-1-基]-5-氯-4-甲基苯磺酸钠二甲基亚砜单溶剂化物一水合物，Na·CHClNOS·HO·CHOS。晶体结构在173 K下通过单晶X射线衍射测定。在这种单钠盐中，SO基团去质子化，而COOH基团质子化。残基形成链状 离子相互作用和氢键。这些链排列成极性/非极性双层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/9fce14fae593/e-77-00402-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/bde18a539fb6/e-77-00402-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/1c4eae13b47f/e-77-00402-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/9fce14fae593/e-77-00402-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/bde18a539fb6/e-77-00402-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/1c4eae13b47f/e-77-00402-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/79ba/8025858/9fce14fae593/e-77-00402-fig3.jpg

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