Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one

The pyrazoline compound 1-(3-(4-iodophenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-1yl)ethan-1-one has been synthesized, characterized by spectroscopic techniques and it structure confirmed by X-ray diffraction studies. This compound crystallize in the monoclinic system with space group I2...

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Main Authors:	Delgado, G. E., Liew, S. M., Jamalis, J., Cisterna, J., Cardenas, A., Brito, I.
Format:	Article
Published:	Elsevier B. V. 2010
Subjects:	QD Chemistry
Online Access:	http://eprints.utm.my/id/eprint/86537/ https://dx.doi.org/10.1016/j.molstruc.2020.128044
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Institution:	Universiti Teknologi Malaysia

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spelling	my.utm.865372020-09-30T08:41:30Z http://eprints.utm.my/id/eprint/86537/ Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one Delgado, G. E. Liew, S. M. Jamalis, J. Cisterna, J. Cardenas, A. Brito, I. QD Chemistry The pyrazoline compound 1-(3-(4-iodophenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-1yl)ethan-1-one has been synthesized, characterized by spectroscopic techniques and it structure confirmed by X-ray diffraction studies. This compound crystallize in the monoclinic system with space group I2/a, Z = 8, and unit cell parameters a = 25.4315(13) angstrom, b = 5.1216(3) angstrom, c = 26.2639(14) angstrom, beta = 105.767(5)degrees, V = 3292.2(3) angstrom(3). The crystal packing is dominated by cohesive weak C/H center dot center dot center dot pi interactions among neighboring molecules producing an efficient packing with 65.5% of occupied space. Hirshfeld surface analysis and 2D fingerprint plots were used for visually analyzing intermolecular interactions in the crystal structure. Elsevier B. V. 2010-06 Article PeerReviewed Delgado, G. E. and Liew, S. M. and Jamalis, J. and Cisterna, J. and Cardenas, A. and Brito, I. (2010) Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one. Journal of Molecular Structure, 1210 . https://dx.doi.org/10.1016/j.molstruc.2020.128044 DOI:10.1016/j.molstruc.2020.128044
institution	Universiti Teknologi Malaysia
building	UTM Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Universiti Teknologi Malaysia
content_source	UTM Institutional Repository
url_provider	http://eprints.utm.my/
topic	QD Chemistry
spellingShingle	QD Chemistry Delgado, G. E. Liew, S. M. Jamalis, J. Cisterna, J. Cardenas, A. Brito, I. Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
description	The pyrazoline compound 1-(3-(4-iodophenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-1yl)ethan-1-one has been synthesized, characterized by spectroscopic techniques and it structure confirmed by X-ray diffraction studies. This compound crystallize in the monoclinic system with space group I2/a, Z = 8, and unit cell parameters a = 25.4315(13) angstrom, b = 5.1216(3) angstrom, c = 26.2639(14) angstrom, beta = 105.767(5)degrees, V = 3292.2(3) angstrom(3). The crystal packing is dominated by cohesive weak C/H center dot center dot center dot pi interactions among neighboring molecules producing an efficient packing with 65.5% of occupied space. Hirshfeld surface analysis and 2D fingerprint plots were used for visually analyzing intermolecular interactions in the crystal structure.
format	Article
author	Delgado, G. E. Liew, S. M. Jamalis, J. Cisterna, J. Cardenas, A. Brito, I.
author_facet	Delgado, G. E. Liew, S. M. Jamalis, J. Cisterna, J. Cardenas, A. Brito, I.
author_sort	Delgado, G. E.
title	Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
title_short	Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
title_full	Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
title_fullStr	Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
title_full_unstemmed	Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
title_sort	structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one
publisher	Elsevier B. V.
publishDate	2010
url	http://eprints.utm.my/id/eprint/86537/ https://dx.doi.org/10.1016/j.molstruc.2020.128044
_version_	1680321060781686784

Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one

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