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 ?-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