Structure of 5,5-dimethyl-2-(4-nitrophenylaminomethylene)-1,3- cyclohexanedione

Abstract

CIsHI6N204, triclinic, P1, a = 12.719 (3), b= 7.485 (2), c= 7.728 (2) A, a =93"18 (2), fl = 100-40 (2), 3' = 99-24 (2) °, V = 711-5 (3) •3, Z = 2, Dm = 1.35, Dx = 1.34 Mg m -3, A(Mo Ka) = 0.7107/~, /.+ = 0"092 mm-~, F(000) = 304, T= 300 K, final R = 0.08 for 1124 observed reflections. The IR, Raman and ~H NMR spectra of 2,2- diacylethenamines and 2-aminomethylene-5,5- dimethylcyclohexane-l,3-diones show that these substances exist exclusively in the chelated enaminodiketone form and that the conjugated system contained in them is essentially planar [G6mez-Sfinchez, Garcia Martin, Borrachero & Bellanato (1987). J. Chem. Soc. Perkin Trans. 2, pp. 301-306]. The molecule has an intramolecular hydrogen bond between the N(amino) and O(carbonyl) atoms. The packing of the molecules is governed by normal van der Waals contacts