Two new polytypes of 2,4,6-tribromobenzonitrile

Abstract

Three polymorphs of 2,4,6-tribromobenzonitrile (RCN), C7H2Br3N, two of which are novel and one of which is a redetermination of the original structure first determined by Carter & Britton [(1972).Acta Cryst.B28, 945–950] are found to be polytypic. Each has a layer structure which differs only in the stacking of the layers. Each layer is composed of molecules associated through C[triple-bond]N...Br contacts which formR22(10) rings. Two such rings are associated with each N atom; one with eachortho-Br atom. No new polytypes of 1,3,5-tribromo-2-isocyanobenzene (RNC) were found but a re-determination of the original structure by Carteret al.[(1977).Cryst. Struct. Commun.6, 543–548] is presented. RNC was found to be isostructural with one of the novel polytypes of RCN. Unit cells were determined for 23 RCN samples and 11 RNC samples. Polytypes could not be distinguished based on crystal habits. In all four structures, each molecule of the asymmetric unit lies across a mirror plane.