Two new polytypes of 2,4,6-tribromobenzonitrile

Doyle Britton, Wayland E. Noland, Kenneth J. Tritch

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

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 and 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.

Original languageEnglish (US)
Pages (from-to)178-183
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume72
Issue number2
DOIs
StatePublished - Feb 2016

Keywords

  • C. Br contacts
  • Crystal structure
  • N. Br contacts
  • Sandmeyer
  • isocyanide
  • polymorphs
  • polytypes

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