Crystal data for 1.3-dibromo-5-methylbenzene at 293 K

The title compound C₇H₆Br₂ (also called 3,5-dibromotoluene) is orthorhombic, space group P2₁2₁2₁ with a = 14.426(2), b = 13.636(2), c = 4.076(1) Å, V = 801.8(3) ų, Z = 4, D_x = 2.071 Mg m⁻³. The space group and preliminary cell parameters have been determined by single-crystal diffraction methods (Bragg, Weissenberg and precession patterns). The cell dimensions have been refined by least squares from accurate powder diffractometer data recorded at T = 293(1) K (quartz as internal standard, Cu Kα₁−Kα₂ correction so that λ = 1.54056 Å). The indexed powder data are given. No phase transition is detected between 123 K and the melting point 311.1(2) K (differential scanning calorimetry and Guinier–Lenné analysis). The results show that 1,3-dibromo-5-methylbenzene is isomorphous with 1,3,5-trichlorobenzene and 1,3,5-tribromobenzene. The JCPDS Diffraction File No. For C₇H₆Br₂ is 36-1991.