R. Romano, C. Védova, R. Boese
Jan 19, 1999
Citations
0
Influential Citations
14
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The X-ray crystal structures for N-sulfinyl-benzenamine (OSN–C 6 H 5 ) and N-sulfinyl-2,6-diethyl benzenamine (OSN–C 6 H 3 (CH 3 –CH 2 ) 2 -2,6) are reported. For OSN–C 6 H 5 a planar structure with syn configuration of the OSN–R group was determined. For OSN–C 6 H 3 (CH 3 –CH 2 ) 2 -2,6 this configuration was maintained, however, the spacial requirements of the substituents in the ortho position affect the planarity of the molecule. The OSN group is rotated by 55.3° from the planar structure. Ab initio calculations predict the most stable structures for both compounds.