Open AccessSynthesis and Spectral Characterization of Chalcone dervived from 6-Acetyl-2H-1,4-benzoxazin-(4H)-3-one: Single-crystal XRD, Hirshfeld Surface Analysis and DFT Calculations
Author(s) -
R. Rajalakshmi,
S. Ramkumar,
A. Sripriya
Publication year - 2022
Publication title -
asian journal of chemical sciences
Language(s) - English
Resource type - Journals
ISSN - 2456-7795
DOI - 10.9734/ajocs/2022/v11i319122
Subject(s) - monoclinic crystal system , chalcone , crystallography , crystal structure , spectral line , single crystal , crystal (programming language) , chemistry , claisen rearrangement , proton nmr , lattice (music) , characterization (materials science) , stereochemistry , materials science , physics , nanotechnology , quantum mechanics , computer science , programming language , acoustics
Compound (E)- 6-(3-(p-tolyl)acryloyl)- 2H-benzo[b][1,4]oxazin-3(4H)- one [6TABO] with molecular formula C18H15NO3 was synthesized utilizing Claisen-Schmidt condensation technique. FT-IR and 1H NMR spectra were recorded to recognize the different utilitarian gatherings present in the compound and affirm the synthetic construction. The UV-Visible range study uncovers that the visible is straightforward in the whole apparent locale and the retention is seen at 325.40 nm. Single-crystal XRD concentrates on show that the compound takes shape in the monoclinic framework with a space bunch P 1 21/c 1. The corresponding lattice parameters of the crystal are a = 13.0723 (7) Å, b = 7.1789 (4) Å, c = 16.1812 (9) Å, α=900, β = 109.148 (2)0, γ = 900.