Spectroscopic and crystal structure analyses of methyl 1-phenyl-3,4-dioxo-2-naphthalenecarboxylate, C18H12O4

Article abstract of DOI:10.1007/BF01199532

The crystal and molecular structure of methyl 1-phenyl-3,4-dioxo-2-naphthalenecarboxylate.C18H12O4, has been determined from three-dimensional, single-crystal X-ray diffraction data.The compound crystallizes in the monoclinic space group Cc(No. 9.C⁴_S) with a = 9.837(2), b = 16.397(3), c = 8.706(1) Angstroem, β = 94.88(1) deg, Z = 4, D_m = 1.38(1) Mg m^-3, and D_x = 1.388 Mg m^-3.The phasing model was determined by direct methods and the final full-matrix leastsquares refinement yielded R = 0.0363 and R_w = 0.0405 for 1374 unique reflections.Optical, infrared, NMR, and UV-VIS analyses have also been carried out.The molecules in the crystal lattice are held together by van der Waals forces.