Crystal and molecular structure of 1,3,5-trimethoxy-2,4,6-trinitrobenzene.Mesomeric effects for out-of-plane twisted substituents

Crystal and molecular structure of 1,3,5-trimethoxy-2,4,6-trinitrobenzene h as been determined by X-ray diffraction technique. Crystal dal-a for C9H9N3 O9: triclinic, P (1) over bar, a = 7.507(2) Angstrom, b = 9.215(2) Angstrom , c = 10.426(2) Angstrom, alpha = 108.58(3)degrees, beta = 90.23(3)degrees, gamma = 1 10.77(3)degrees, Z= 2, R = 0.0629 for 2568 reflections. Both sub stituents, OCH3 and NO2, exhibit a significant mesomeric effect in spite of their twist of about 70 degrees.