Crystal structure of (R)-6'-bromo-3,3-dimethyl-3',4'-di-hydro-2'H-spiro-[cyclo-hexane-1,3'-1,2,4-benzo-thia-diazine] 1',1'-dioxide.

ABSTRACT: In the title compound, C14H19BrN2O2S, the 1,2,4-thia-diazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclo-hexane ring adopts a chair conformation. The mean plane of the cyclo-hexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring, making dihedral angles of 70.4?(2) and 71.43?(19)°, respectively. Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring is 4.91?(18)°. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond, which encloses an S(6) ring motif. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [10-1], forming a C(6) graph-set motif. These chains are inter-connected via C-H?? inter-actions, leading to chains along [-101], so finally forming sheets parallel to (010).

SUBMITTER: Shinoj Kumar PP 

PROVIDER: S-EPMC4257282 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature