STRUCTURE OF 7-DIETHYLAMINO-4-TRIFLUOROMETHYLCOUMARIN

7-Diethylamino-4-trifluoromethyl-2H-1-benzopyran-2-one, C14Hl4F3NO2, M(r) = 285.26, triclinic, P1BAR, a = 14.392 (2), b = 18.837 (3), c = 10.191 (2) angstrom, alpha = 90.15 (2), beta = 98.72 (2), gamma = 85.49 (2)-degrees V = 2722.3 (8) angstrom3, Z = 8, D(m) = 1.405, D(x) = 1.392 g cm-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 1.14 cm-1, F(000) = 1184, T = 296 K, final R = 0.043 for 3156 observed [\F(o)\ greater-than-or-equal-to 5sigma(\F(o)\)] reflections. The asymmetric unit comprises four independent molecules which can be grouped into two sets; each set contains two molecules related by a non-crystallographic centre of symmetry. These two sets are nearly orthogonal to each other. The N-C(sp2) linkages show partial double-bond character in all molecules. The N atom and its bonded atoms are coplanar with the benzene plane and the two methyl C atoms lie on opposite sides of that plane. The N-C-C(methyl) planes are orthogonal to the benzene plane.