Structure and characterization of a novel chalcone crystal having nitro as an acceptor group

Shobha R. Prabhu, A. Jayarama, V. Upadhyaya, K. Subrahmanya Bhat, Seik Weng Ng

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18 Citations (Scopus)


A novel organic nonlinear optical (NLO) compound (2E)-3-(2-methylphenyl)-1-(4-nitrophenyl) prop-2-en-1-one (2MPNP) has been synthesized and grown as a high-quality single crystal by the slow evaporation technique. 2MPNP crystals were characterized by FT-IR, UV-Vis-NIR, NMR, DSC, and Single Crystal XRD techniques. 2MPNP crystallizes in the orthorhombic crystal class in the noncentrosymmetric space group Pca21 with cell parameters a = 29.905(4) Å, b = 4.8241(5) Å, c = 9.0984(10) Å, α = β = γ = 90.00°, and V = 1312.58 Å3 and Z = 4. Second harmonic generation (SHG) efficiency of the grown crystal was found to be 1.17 times that of urea. Thermal analysis reveals that the crystal has better thermal stability.

Original languageEnglish
Pages (from-to)200-214
Number of pages15
JournalMolecular Crystals and Liquid Crystals
Issue number1
Publication statusPublished - 2015


All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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