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The structure of dibenz[b,f]oxepin

The structure of dibenz[b,f]oxepin, C14Ht0 O, parent molecule of a group of psychotropic drugs, has been determined by direct methods from 776 X-ray diffractometer data and refined by least squares to a final residual R of 0.115. The space group is orthorhombic, Pnam, with a = 8.236(3), b = 6.115 (1), c = 19.667 (4) A; z = 4, v = 990.3 A3; D m = 1.30 (1), D c = 1.29 Mg m -3. The molecules, located on mirror planes passing through the O atom and the midpoint of the 1.327 (6)A C ( 1 0 ) C ( l l ) ethylenic bond, have almost planar benzene rings mutually inclined at a comparatively small dihedral angle of 134 (2) ° . The heterocyclic ring, in boat conformation, has a C O C bond angle of 115.7(4) ° and C O bonds of 1.390 (5)A.