(S)-2-[(2-Ammonio-phenyl)-sulfanyl-methyl]pyrrolidinium dibromide.

ABSTRACT: In the title compound, C(11)H(18)N(2)S(2+)·2Br(-), the pyrrolidine ring displays a half-chair conformation, with the flap C atom lying 0.522?(5)?Å out of the plane of the other four atoms. The methyl-ene C atom, which connects the pyrrolidinium ring and the thio-ether group, is displaced from the plane of four pyrrolidinium atoms by 0.690?(6)?Å in the same direction as the flap C atom. The plane of four pyrrolidinium atoms is almost perpendicular to the benzene ring [dihedral angle = 75.02?(4)°]. The crystal structure is stabilized by hydrogen bonds between the N and Br atoms.

SUBMITTER: Li B 

PROVIDER: S-EPMC2962173 | biostudies-other | 2008

REPOSITORIES: biostudies-other