Abstract
The title compound, C7H4BrNO, crystallizes with two molecules in the asymmetric unit. The two molecules exhibit nearly linear C—C N 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 [N⋯O = 2.805 (4) and 2.810 (4) Å].
Highlights
The title compound, C7H4BrNO, crystallizes with two molecules in the asymmetric unit
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2372)
R-factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 125 K; mean (C–C) = 0.005 A; R factor = 0.043; wR factor = 0.100; data-to-parameter ratio = 22.5. The title compound, C7H4BrNO, crystallizes with two molecules in the asymmetric unit. The two molecules exhibit nearly linear C—C N nitrile bond angles of 179.1 (4) and 177.1 (4). The molecules are linked into a onedimensional hydrogen-bonded chain by interactions between the phenol H atom and the nitrile N atom [NÁ Á ÁO = 2.805 (4) and 2.810 (4) A ]. Related literature For information on the synthesis of the title compound, see: Anwar & Hansen (2008); Bonnichon et al (1999); Oberhauser (1997); Tamilselvan et al (2009). For a related crystal structure, see: Beswick et al (1996)
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