Accession Number:

ADA063955

Title:

The Molecular Structure of Bis(Dimethylamino)-Difluorosulfurane; The First X-ray Crystal Structure of a Fluorosulfurane.

Descriptive Note:

Technical rept.,

Corporate Author:

TEXAS UNIV AT AUSTIN DEPT OF CHEMISTRY

Personal Author(s):

• Cowley,A. H.
• Riley,P. E.
• Szobota,J. S.
• Walker,M. L.

Report Date:

1978-12-28

Pagination or Media Count:

40.0

Abstract:

The molecular structure of Me2N2SF2 has been determined by single crystal X-ray diffraction methods. The compound crystallizes in the monoclinic system, space group C2c, with a 11.00 2 A, b 5.693 6 A, c 12.24 3 A, beta 92.79 10 deg., and Z 4. The symmetry of Me2N2SF2 is 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 C2 symmetry axis. Since the dihedral angle between the C-N-C and N-S-N planes is 48.2 deg., the nitrogen lone pairs are disposed approximately midway between the sulfur lone pair and the sulfur-fluorine axial S-F2 bonds. The sum of the bond angles around the nitrogen atoms is 342.3 deg. hence the hybridization at these centers is approximately halfway between sp2 and sp3. The Fa-S-Fa bonds are bent toward the sulfur lone pair by 5.3 deg., and the equatorial N-S-N bond angle is 102.31 deg. The S-F and S-N bond distances are 1.7702 A and 1.6482 A, respectively. Author

Descriptors:

• *CRYSTAL STRUCTURE
• *X RAY DIFFRACTION
• *MOLECULAR STRUCTURE
• *FLUORINE COMPOUNDS
• *ORGANIC SULFUR COMPOUNDS
• *SULFUR HETEROCYCLIC COMPOUNDS
• METHYL RADICALS
• CHEMICAL BONDS
• AMINES
• STEREOCHEMISTRY

Subject Categories:

• Organic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE