Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 7 (July 2013)


organic compounds



eg3125 scheme

Acta Cryst. (2013). C69, 778-780    [ doi:10.1107/S0108270113015011 ]

A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate

Å. Kaupang, C. H. Görbitz and T. Bonge-Hansen

Abstract: The organic acid-base complex 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate, C5H14N3+·C7H7O3S-, was obtained from the corresponding 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate complex, C5H14N3+·C7H7O2S-, by solid-state oxidation in air. Comparison of the two crystal structures reveals similar packing arrangements in the monoclinic space group P21/c, with centrosymmetric 2:2 tetramers being connected by four strong N-H...O=S hydrogen bonds between the imine N atoms of two 1,1,3,3-tetramethylguanidinium bases and the O atoms of two acid molecules.

Formula: C5H14N3+·C7H7O2S- and C5H14N3+·C7H7O2.82S-


hkldisplay filedownload file

Structure factor file (CIF format) (165.6 kbytes)
[ doi:10.1107/S0108270113015011/eg3125Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (128.5 kbytes)
[ doi:10.1107/S0108270113015011/eg3125IIsup3.hkl ]
Contains datablock II


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