Crystal structure of 2-[(3S, 4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate

Abstract

The central beta-lactam ring of the title compound, C36H24N2O4, is almost planar (r.m.s. deviation = 0.003 angstrom) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)degrees with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 angstrom) and the 1H-benzo[de] isoquinoline-1,3(2H)-dione moiety, which is nearly planar [maximum deviation = 0.098 (2) angstrom], respectively. The molecular structure is stabilized by an intramolecular C-H center dot center dot center dot N hydrogen bond. In the crystal, molecules are linked via C-H center dot center dot center dot pi and pi-pi stacking interactions [centroid-centroid distances = 3.5270 (19) and 3.779 (2) angstrom], forming a three-dimensional structure. A region of disordered electron density, probably disordered solvent molecules, was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18], which indicated a solvent cavity of 322 angstrom(3) containing approximately 91 electrons. Their formula mass and unit-cell characteristics were not taken into account during the refinement.