Prabhu, Shobha R and Jayarama, A and Upadhyaya, V and Bhat, Subrahmanya K and Seik, Weng NG (2015) Structure and Characterization of a Novel Chalcone Crystal Having Nitro as an Acceptor Group. Molecular Crystals and Liquid Crystals, 607. pp. 200-214. ISSN 1563-5287

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Abstract

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 highquality 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.

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