Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry


Crystal Structure of 3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c] isoxazole-3a-carbonitrile

Author(s): M. Sivakumara, G. Suresh, K. Vetrikumaran and S. Aravindhan

Single crystals of 3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbonitrile were grown by slow evaporation method at room temperature. Single crystal x-ray diffraction analysis reveals that the title compound crystallizes in Monoclinic system with space group P21/c and the calculated lattice parameters are a=10.4380(7)Å, b=6.5517(4)Å, c=19.9654(13)Å, α=90°, β=102.308(2)° and γ= 90°. In the title compound the five membered ring isoxazole adopts envelope conformation. The crystal packing of the compound is through weak C-H...N and C-H…π intermolecular interactions in addition to van der Waals forces