Received 5 July 2012
The title compound, C7H4BrNO, crystallizes with two molecules in the asymmetric unit. The two molecules exhibit nearly linear C-CN nitrile bond angles of 179.1 (4) and 177.1 (4)°. In the crystal, the molecules are linked into a one-dimensional hydrogen-bonded chain by interactions between the phenol H atom and the nitrile N atom [NO = 2.805 (4) and 2.810 (4) Å].
For information on the synthesis of the title compound, see: Anwar & Hansen (2008); Bonnichon et al. (1999); Oberhauser (1997); Tamilselvan et al. (2009). For use as a synthetic reagent, see: Jiang et al. (2011); Tsuhako et al. (2012); Wetzel et al. (2011). For a related crystal structure, see: Beswick et al. (1996).
Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2372 ).
This work was supported by Vassar College. X-ray facilities were provided by the US National Science Foundation (grant No. 0521237 to JMT).
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