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The Crystal and Molecular Structure of Ammonium p-Methylbenzenesulfonate
The Crystal and Molecular Structure of Ammonium p-Methylbenzenesulfonate
Journal of the Korean Chemical Society. 1988. Aug, 32(4): 297-300
  • Published : August 20, 1988
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Ahn, Choong Tai
Carpenter, Gene B.

Abstract
Ammonium p-methylbenzenesulfonate, $C_7H_11NO_3S$, Mr = 189.23, orthorhombic, space group $Pna2-1$, a = 20.406(4), b = 6.271(1), c = 7.067(2)${\AA}$, V = 904.19 ${\AA}^3$, Z = 4, $D_x$ = 1.39, $D_m =1.38g{\cdot}cm^{-3}$, ${\lambda}(M_o K_{\alpha})$ = 0. 71069 ${\AA}$, ${\mu}=3.1 cm^{-1}$, T = 298K, F(000) = 400, final R = 0.057 for 994 unique observed reflections with I > $16{\sigma}(I)$. The methylbenzene portion including the sulfur atom is nearly planar. Between the $SO_3$ groups and the ammonium ion, there are three unique hydrogen bonds; two of which make the anions linked along the c-axis and the remaining one along the b-axis. These hydrogen bonds make two-dimensionally hydrogen-bonded molecular layers. Among these hydrophilic layers, the methylbenzene moieties cluster together to form hydrophobic layers.