MOLECULAR-STRUCTURE OF "BIS(DIMETHYLAMINO)DIFLUOROSULFURANE - 1ST X-RAY CRYSTAL-STRUCTURE OF A FLUOROSULFURANE

The molecular structure of (Me2N)2SF2has been determined by single-crystal X-ray diffraction methods. The compound crystallizes in the monoclinic system, space group C2/c, with a = 11.00 (2) Å,b = 5.693 (6) Å, c = 12.24 (3) Å, β = 92.79 (10)°, and Z = 4. The symmetry of (Me2N)2SF2is C2, and the structure is essentially trigonal bipyramidal with the fluorine and Me2N ligands occupying axial and equatorial sites, respectively. The third equatorial site is occupied by the sulfur “lone pair” which lies along the C2symmetry axis. The torsion angle formed about the S-N bond with the idealized dispositions of the S and N lone pairs is 120°. The N atoms lie 0.382 (2) Å from the plane formed by the three atoms to which each is bonded and the sum of the bond angles around the nitrogen atoms is 342.3°; hence the hybridization at these centers is approximately halfway between sp2 and sp3. The S-F bonds are bent toward the sulfur lone pair by 5.3°, and the equatorial N-S-N’ bond angle is 102.3 (1)°. The S-F and S-N bond distances are 1.770 (2) Ånd 1.648 (2) Å, respectively. © 1979, American Chemical Society. All rights reserved.