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Title: Supramolecular structure of phellopterin isolated from the roots of heracleum thomsoni: A furanocoumarin
Authors: Sharma, Bandhan
Keywords: Furanocoumarins;Supramolecular;X-ray diffraction;Pyrone ring;Hydrogen bonding
Issue Date: Dec-2015
Publisher: NISCAIR-CSIR, India
Abstract: The crystal structure of phellopterin has been determined by X-ray diffraction method. The compound crystallizes in the triclinic space group P1 with unit cell parameters: a = 8.431(3) Å, b = 8.947(3) Å, c = 11.125(4) Å, α = 69.11(5)°, β = 71.13(5)º and γ = 78.04(5) º, Z = 2, V=737.9(4) Å3. The structure has been solved by direct methods and refined to reliability index of 0.059. The molecules of phellopterin are linked by paired C-H...O hydrogen bond. The face to face π... π stacking interactions link the planar tricyclic moiety with one another and pack in parallel arrangements.
Page(s): 808-812
ISSN: 0975-1041 (Online); 0019-5596 (Print)
Appears in Collections:IJPAP Vol.53(12) [December 2015]

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