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

Research output: Contribution to journalArticle

17 Citations (Scopus)

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 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
Volume607
Issue number1
DOIs
Publication statusPublished - 2015

Fingerprint

Chalcone
Crystals
Single crystals
crystals
Crystal symmetry
Harmonic generation
Urea
Thermoanalysis
Evaporation
Thermodynamic stability
Nuclear magnetic resonance
single crystals
ureas
harmonic generations
thermal analysis
thermal stability
evaporation
nuclear magnetic resonance
cells

All Science Journal Classification (ASJC) codes

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

Cite this

@article{9fa312407ccd4816aa5b94e3bfa12898,
title = "Structure and characterization of a novel chalcone crystal having nitro as an acceptor group",
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 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) {\AA}, b = 4.8241(5) {\AA}, c = 9.0984(10) {\AA}, α = β = γ = 90.00°, and V = 1312.58 {\AA}3 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.",
author = "Prabhu, {Shobha R.} and A. Jayarama and V. Upadhyaya and Bhat, {K. Subrahmanya} and Ng, {Seik Weng}",
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Structure and characterization of a novel chalcone crystal having nitro as an acceptor group. / Prabhu, Shobha R.; Jayarama, A.; Upadhyaya, V.; Bhat, K. Subrahmanya; Ng, Seik Weng.

In: Molecular Crystals and Liquid Crystals, Vol. 607, No. 1, 2015, p. 200-214.

Research output: Contribution to journalArticle

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AU - Prabhu, Shobha R.

AU - Jayarama, A.

AU - Upadhyaya, V.

AU - Bhat, K. Subrahmanya

AU - Ng, Seik Weng

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AB - 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.

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