Abstract
Two novel crystal forms of bis-(oxonium) ethane-1,2-di-sulfonate, 2H3O-·C2H4O6S2 2-, are reported. Polymorph II has monoclinic (P21/n) symmetry, while the symmetry of form III is triclinic (P ). Both structures display extensive networks of O-H⋯O hydrogen bonds. While this network in Form II is similar to that observed for the previously reported Form I [Mootz & Wunderlich (1970 ▸). Acta Cryst. B26, 1820-1825; Sartori et al. (1994 ▸). Z. Naturforsch. 49, 1467-1472] and extends in all directions, in Form III it differs significantly, forming layers parallel to the ab plane. The sulfonate mol-ecule in all three forms adopts a nearly identical geometry. The other observed differences between the forms, apart from the hydrogen-bonding network, are observed in the crystal density and packing index.
Highlights
Sulfonic acids are commonly used in salt formation in the pharmaceutical industry, especially for poorly or non soluble in water drugs (Neau & Loka, 2018)
Ethane-1,2disulfonic acid is commonly used in the salt screening for increasing solubility as well as improving the crystallinity of various researched active pharmaceutical ingredients (APIs)
The sulfonate group adopts the geometry of an open umbrella with the C—S—O bond angles of 106.51 (6), 105.82 (6), 107.23 (6) for Form II (Fig. 1) and 106.16 (11), 106.21 (10), 107.20 (12) for Form III
Summary
Sulfonic acids are commonly used in salt formation in the pharmaceutical industry, especially for poorly or non soluble in water drugs (Neau & Loka, 2018). Salts of ethane-1,2-disulfonic acid account for 0.38% of all the FDA-approved commercially marketed salts (Steele & Talbir, 2016) and its toxicology, dosage (Saal & Becker, 2013) and various physico-chemical properties are widely studied (Black et al, 2007; Elder et al, 2010). Ethane-1,2disulfonic acid is commonly used in the salt screening for increasing solubility as well as improving the crystallinity of various researched active pharmaceutical ingredients (APIs)
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