The crystal structure of o-(bromomethyl)benzonitrile

Abstract

Abstracto-(Bromomethyl)benzonitrile, CsH6BrN, is monoclinic with unit-cell dimensions a = 12.69 (3), b = 8.16 (4), c = 7.24 (2) A and fl = 98.2 (2) °. The space group is P2Ja and the calculated density with four formula units in the unit cell is 1-740 Mg m -3. Intensities were collected on a Weissenberg camera using Cu Ka radiation. The intensities of the reflections were visually estimated. The structure was determined by the heavyatom technique and refined by the full-matrix leastsquares method to R = 0.095 for 519 observed reflections. No angle in the benzyl ring differs significantly from the mean of 119.9 °, nor C-C bond length from the mean of 1.41 A; the lengths of C(1)-C(2) and C(7)-C(8) do not differ significantly.