Crystal Structure Analysis of Methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate

AbstractThe crystal structure of the potential active methyl-3-phenyl-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate(C 18 H 15 NO 4 ) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in theorthorombic space group P2 1 2 1 2 1 with unit cell dimension a=9.8320 (17) A, b=9.9890 (18) A and c= 15.588 (3)A [α=90°,β= 90 o and γ= 90 o ]. In the structure chromene, isoxazole and carboxylate are almost coplanar each other. All geometricalparameters revelled that chromene ring of pyran ring adopt sofa conformation. The crystal packing is stabilized byintermolecular C-H...O and C-H...N hydrogen bond interaction.Keywords: Chromene, Pyran, Single Crystal Structure, X-ray diffraction 1. Introduction Chromenes constitute one of the main class of natu-rally occurring oxygen heterocycles, which posses sev-eral biological and pharmacological properties such asanti-coagulant, anti-sterility, anti-viral, anti-fungal, anti-inflammatory, cardionthonic, anti-diabetic, spasmolytic,diuretic, anti-anaphylactic, anti-cancer activities