Anticancer agent development. 4. X-ray crystal structure and intermolecular crystal lattice interactions of methyltrans-4,5-dihydro-4-acetoxymethyl-5-(3,4,5-trimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)-3-furancarboxylate

Abstract

The title compound, C25H26O10,M r=486.48, crystallized from methanol in the acentric space group P21,2121, witha=7.617(3),b, 12.703(3),c=24.408(3) A,V=2362 A3,D calc=1.37 g cm−3 andμ=0.66 cm−1 forZ=4. Least-squares refinement of 1417 observed [F o≥5σ(F o)] reflections led to the final agreement index ofR=0.044. The observed structure reveals atrans relationship for the 4-acetoxymethyl and 5-aryl substituents. The 4,5-dihydrofuran ring system assumes a slight envelope conformation. Several intermolecular van der Waals interactions of note occur in this compound.