Crystal structure of benzenesulphonic acid

Abstract

C6H6O3S, orthorhombic, Pca21 (no. 29), a = 15.3524(8) Å, b = 5.7180(3) Å, c = 15.3395(9) Å, V = 1346.58(13) Å3, Z = 8, Rgt(F) = 0.0253, wRref (F2) = 0.0663, T = 200(2) K.

The crystal structure of diaquahydrogen 2,5-dimethylbenzenesulphonate, C8H14O5S

“…One notable example for the latter statement are benzenesulphonic acid and its alkylated derivatives such as para-toluenesulphonic acid which are readily available upon reacting the parent hydrocarbon with concentrated sulphuric acid [8] and find widespread use as reagents of intermediate strength whose solubility in organic solvents is of crucial interest. In continuation of our interest in structural aspects of acidic derivatives of benzene [9][10][11][12][13][14] the molecular and crystal structure of the title compound was determined. Structural information about para-toluenesulphonic acid [15] as well as several compounds featuring the title compound bonding to main group elements such as tin [16,17] is available in the literature.…”