Crystal Structure Analysis of a New Coumarin Derivative

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 = 1.3...

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Veröffentlicht in:Crystal research and technology (1979) 2001-11, Vol.36 (11), p.1289-1294
Hauptverfasser: Krishna, R., Velmurugan, D., Sundara Raj, S. Shanmuga, Fun, H.-K., Sundaram, M. S., Raghunathan, R.
Format: Artikel
Sprache:eng
Schlagworte:
Condensed matter: structure, mechanical and thermal properties
coumarin
crystal structure
Exact sciences and technology
Heterocyclic compounds
Organic compounds
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Zusammenfassung: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.
ISSN:0232-1300
1521-4079
DOI:10.1002/1521-4079(200111)36:11<1289::AID-CRAT1289>3.0.CO;2-Y