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Title: Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate

Abstract

The title compound, C{sub 19}H{sub 18}N{sub 2}O{sub 2}, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2{sub 1}/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.

Authors:
; ;  [1]; ;  [2]
  1. Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore-570006 (India)
  2. Department of Chemistry, Yuvaraja's College, University of Mysore, Mysore-570005 (India)
Publication Date:
OSTI Identifier:
22269270
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1591; Journal Issue: 1; Conference: 58. DAE solid state physics symposium 2013, Patiala, Punjab (India), 17-21 Dec 2013; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; HYDROGEN; MONOCLINIC LATTICES; MONOCRYSTALS; SPACE GROUPS; SYNTHESIS; X-RAY DIFFRACTION

Citation Formats

Chandra,, Babu, E. A. Jithesh, Mahendra, M., E-mail: mahendra@physics.uni-mysore.ac.in, Srikantamurthy, N., and Umesha, K. B. Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate. United States: N. p., 2014. Web. doi:10.1063/1.4872901.
Chandra,, Babu, E. A. Jithesh, Mahendra, M., E-mail: mahendra@physics.uni-mysore.ac.in, Srikantamurthy, N., & Umesha, K. B. Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate. United States. doi:10.1063/1.4872901.
Chandra,, Babu, E. A. Jithesh, Mahendra, M., E-mail: mahendra@physics.uni-mysore.ac.in, Srikantamurthy, N., and Umesha, K. B. 2014. "Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate". United States. doi:10.1063/1.4872901.
@article{osti_22269270,
title = {Synthesis and crystal structure studies of ethyl 5-methyl-1, 3-diphenyl-1H-pyrazole-4-carboxylate},
author = {Chandra, and Babu, E. A. Jithesh and Mahendra, M., E-mail: mahendra@physics.uni-mysore.ac.in and Srikantamurthy, N. and Umesha, K. B.},
abstractNote = {The title compound, C{sub 19}H{sub 18}N{sub 2}O{sub 2}, was investigated by single crystal X-ray diffraction method. It crystallizes in monoclinic class under the space group P2{sub 1}/c with cell parameters a= 8.4593(4) Å, b=15.6284(6) Å, c=12.4579(5) Å, α=90°, β=98.241(3)°, γ=90° and Z=2. The ethoxycarbonyl group is slightly twisted from the pyrazole ring, and adopts syn-periplanar conformation. The crystal structure is stabilized by intermolecular C-H….O hydrogen bonds, which help in stabilizing the crystal structure.},
doi = {10.1063/1.4872901},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1591,
place = {United States},
year = 2014,
month = 4
}