Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 1289 - Abstract -

R. Krishna, D. Velmurugan, S. Shanmuga Sundara Raj*, H.-K. Fun*, M. S. Sundaram**, R. Raghunathan**

Department of Crystallography and Biophysics, University of Madras, Madras, India
*School of Physics, Universiti Sains Malaysia, Penang, Malaysia
**Department of Organic Chemistry, University of Madras, Madras, India

Crystal Structure Analysis of a New Coumarin Derivative

The title compound (6,6-dimethyl-cis-6H,6aH,7H,12bH,13H-bis[1]benzopyrano[4,3-b:4’,3’-d]pyran-13-one) crystallizes in monoclinic space group P21/c with Z=4. The unit cell dimensions are a = 8.6231(2) Å, b =10.0260(2) Å, c = 19.8376(2) Å, and β = 102.1(1)°, V = 1674.51(5) Å3, Dcal = 1.326 Mg/m3. The coumarin moiety is in the planar conformation, the dioxadecalin moiety is cis fused and within the dioxadecalin moiety both the rings are in half cahir/sofa conformations. The structure has many C-H…O type interactions.

Keywords: crystal structure, coumarin


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