Abstract
Abstract The title molecule has been synthesized, characterized spectroscopically (FT-IR, LC-MS, and NMR 1H and 13C) and the 3D structure was confirmed by single crystal X-ray diffraction studies. The compound crystallizes in triclinic P-1 space group with cell parameters a = 9.8619 (2) A, b = 10.6288 (2) A, c = 10.6369 (2) A, α = 92.8280 (10)°, β = 103.19 (10)° γ = 115.00 (10)°, V = 970.28 (3) A3 and Z = 2. The chromene ring makes a dihedral angle of 86.47 (8)o and 4.27 (6)o, with the pyridine and phenyl rings respectively. Intramolecular hydrogen bond of the type C—H…O is observed. The crystal structure is stabilized with intermolecular interactions of the type C—H…π. The Hirshfeld surfaces computational analysis was carried out and the inter contact percentage contribution to the surfaces are listed. The fingerprint plots for each inter contacts are drawn and the electrostatic potential surfaces were drawn on Hirshfeld surfaces.
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