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Crystal data for 1.3‐dibromo‐5‐methylbenzene at 293 K
Author(s) -
Belaaraj A.,
Chanh N. B.,
Haget Y.,
Tauler E.
Publication year - 1985
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889885010895
Subject(s) - crystallography , orthorhombic crystal system , diffractometer , powder diffraction , differential scanning calorimetry , diffraction , crystal (programming language) , chemistry , x ray crystallography , melting point , space group , crystal structure , materials science , physics , optics , thermodynamics , programming language , organic chemistry , computer science
The title compound C 7 H 6 Br 2 (also called 3,5‐dibromotoluene) is orthorhombic, space group P 2 1 2 1 2 1 with a = 14.426(2), b = 13.636(2), c = 4.076(1) Å, V = 801.8(3) Å 3 , 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 Kα 1 − Kα 2 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 C 7 H 6 Br 2 is 36‐1991.