Crystal and molecular structures of 4-N-morpholino-7-phenyl-1,3-isobenzofurandione

The crystal and molecular structures of 4-N-morpholino-7-phenyl-1,3-isobenz ofurandione have been determined by X-my diffraction analysis (Nicolet R3m automated diffractometer, MoKalpha radiation, graphite monochromator, theta /2 theta scan mode). It is found that the compound crystallizes in the orth orhombic system, space group Pbca. The unit cell parameters are as follows: a = 7.773(2) Angstrom, b = 14.652(3) Angstrom, c = 25.614(5) Angstrom, and Z = 8. The structure is solved by the direct method and refined to R1 = 0. 0504 [I > 2 sigma(I)]. The conformational and geometric characteristics of the studied compound and the molecular packing in the crystal are discussed . (C) 2000 MAIK "Nauka/Interperiodica".