NLO active (2E)-2- (ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]prop-2-enoic acid is synthesized.
The compound crystallizes in non-centrosymmetric space group P21.
Crystal structure is analyzed.
The SHG efficiency of the compound displays 8 fold excess when compared with standard KDP.
Intermolecular interactions are analyzed using Hirshfeld surfaces.
The energetics of molecular pairs is estimated using PIXEL method.
Mulliken atomic charges, polarizability, hyperpolarizability and molecular electrostatic potential are calculated.