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

doi:10.1080/15421406.2014.928434

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

^*Corresponding author for this work

Manipal Centre for Natural Sciences, Manipal

Research output: Contribution to journal › Article › peer-review

28 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 language	English
Pages (from-to)	200-214
Number of pages	15
Journal	Molecular Crystals and Liquid Crystals
Volume	607
Issue number	1
DOIs	https://doi.org/10.1080/15421406.2014.928434
Publication status	Published - 2015

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1080/15421406.2014.928434

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@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\}",

note = "Publisher Copyright: Copyright {\textcopyright} 2015 Taylor \& Francis Group, LLC.",

year = "2015",

doi = "10.1080/15421406.2014.928434",

language = "English",

volume = "607",

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T1 - Structure and characterization of a novel chalcone crystal having nitro as an acceptor group

AU - Prabhu, Shobha R.

AU - Jayarama, A.

AU - Upadhyaya, V.

AU - Bhat, K. Subrahmanya

AU - Ng, Seik Weng

PY - 2015

Y1 - 2015

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/84923775345

UR - https://www.scopus.com/pages/publications/84923775345#tab=citedBy

U2 - 10.1080/15421406.2014.928434

DO - 10.1080/15421406.2014.928434

M3 - Article

AN - SCOPUS:84923775345

SN - 1542-1406

VL - 607

SP - 200

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JO - Molecular Crystals and Liquid Crystals

JF - Molecular Crystals and Liquid Crystals

IS - 1

ER -

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

Abstract

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