Crystal and molecular structure of S,S'-dimethyl-N-methylsulphonylsulphilimine, (CH3)2SNSO2CH3

The crystal structure of S,S-dimethyl-N-methylsulphonylsulphilimine has been solved by threedimensional Patterson and Fourier calculations.The parameters have been refined by the aid of Booth's differential syntheses, with a final R=0.106.The S-N distances [1.581(10) and 1"633(9)/~] indicate a delocalized S-N-S d,~ bond system.The S-N-S bond angle is 116"2 (6) °, the average S-O distance, 1"446/~.The C(1)-S(VI) bond distance, 1"749 ( 12) is similar to other C(sp3)-S(VI) bonds.The C(sp3) -S(IV) bond distances [1.74 (7) and 1.74 (3) A] are rather short, which can be explained only with the supposition of strong hyperconjugation.The large e.s.d.'s of the C(2)-S(IV) and C(3)-S(IV) bonds are due to the intensive thermal motion of the C(2) and C(3) atoms.