Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile

Acta Crystallographica Section E: Crystallographic Communications

Tritch, K.J.¹  Noland, W.E.¹  Britton, D.¹ 

[1] Department of Chemistry, University of Minnesota, Minneapolis, MN 55455-0431, USA

关键词: CRYSTAL STRUCTURE;    POLYTYPES;    POLYMORPHS;    SANDMEYER;    ISOCYANIDE;    N...BR CONTACTS;    C...BR CONTACTS;   

DOI  :  10.1107/S2056989016000256

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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≡N⋯Br contacts which form R22(10) rings. Two such rings are associated with each N atom; one with each ortho-Br atom. No new polytypes of 1,3,5-tri­bromo-2-iso­cyano­benzene (RNC) were found but a re-determination of the original structure by Carter et 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.

【 授权许可】

CC BY