X-ray Structure Analysis Online
Online ISSN : 1883-3578
ISSN-L : 1883-3578
Part 3
Crystal Structure of an Epalrestat Dimethanol Solvate
Hiromasa NAGASEMasaru KOBAYASHIHaruhisa UEDATakayuki FURUISHIMihoko GUNJITomohiro ENDOEtsuo YONEMOCHI
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Supplementary material

2016 Volume 32 Pages 7-9

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Abstract

The crystal structure of epalrestat dimethanol-solvate (C15H13NO3S2·2CH3OH) was determined by X-ray crystallography. The crystal is a pseudopolymorphic form of the previously reported monomethanol solvate. The compound crystallized in a monoclinic system, and was characterized as follows: P1, a = 7.8868(2)Å, b = 8.1577(3)Å, c = 16.1069(5)Å, α = 85.5626(19)°, β = 77.790(2)°, γ = 67.5381(18)°, Z = 2, V = 936.00(5)Å3. The pattern of the hydrogen bonds is designated by the graph-set R66(16), composed of two epalrestat and four methanol molecules. The planarity of the epalrestat molecules is lower than that of all other reported polymorphic forms of epalrestat.

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© 2016 by The Japan Society for Analytical Chemistry
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