3,5-Diphenyl-1,2,4-dithia-zolium tetra-bromidoferrate(III).

ABSTRACT: The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings]. The [FeBr(4)](-) anion makes short Br⋯S contacts [Br⋯S = 3.4819 (8), 3.6327 (9) and 3.5925 (9) Å] and also bridges by way of short contacts to ring H atoms of a second cation held parallel to the first by π-stacking, with a separation between the mean 1,2,4-dithia-zolium rings of 3.409 Å. The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å. The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bis-ector of a and c.

SUBMITTER: Shotonwa IO 

PROVIDER: S-EPMC3569193 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature