The title compound was prepared from β-asarone (2, 4, 5-trimethoxy-(Z)-1-propenylbenzene) (1) on nitration with AgNO2/I2 and characterized using Infra-red (IR), Proton Nuclear Magnetic Resonance (1H-NMR), 1D NOESY, Carbon-13 Nuclear Magnetic Resonance (13C-NMR), Gas Chromatography/Mass Spectrometry (GC/MS) spectra and finally the structure was confirmed by X-ray Diffraction (XRD) studies. The compound crystallizes in the monoclinic space group P21 with the C=C olefinic double bond in both the molecules adopting an E conformation. The structure exhibits both inter and intramolecular hydrogen bonds of the type C-H...O and contributes to the crystal packing. Further, the Hirshfeld surface analysis reveals the nature of intermolecular contacts; the fingerprint plot provides the information about the percentage contribution from the intermolecular contacts to the surface.
Select your language of interest to view the total content in your interested language