Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide

Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide

A new hydrazide derivative N′-(2,4-dinitrophenyl)-2-fluorobenzohydrazide was synthesized and characterized by NMR and IR spectroscopy. The molecular structure was also studied by X-ray diffraction, and the results of the optimized molecular structure are presented and compared with density functiona...

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Main Authors: Aamer Saeed, Ifzan Arshad, Ulrich Flörke
Format: Article
Language:English
Published: Hindawi Limited 2013-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2013/648121
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spelling doaj-27bdde46d1bd4054913f5d99104fba4d2020-11-25T00:51:47ZengHindawi LimitedJournal of Chemistry2090-90632090-90712013-01-01201310.1155/2013/648121648121Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-FluorobenzohydrazideAamer Saeed0Ifzan Arshad1Ulrich Flörke2Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, PakistanDepartment of Chemistry, Quaid-I-Azam University, Islamabad 45320, PakistanAnorganische und Analytische Chemie, Universität Paderborn, Warburger straße 100, 33098 Paderborn, GermanyA new hydrazide derivative N′-(2,4-dinitrophenyl)-2-fluorobenzohydrazide was synthesized and characterized by NMR and IR spectroscopy. The molecular structure was also studied by X-ray diffraction, and the results of the optimized molecular structure are presented and compared with density functional methods with 631-G basis set. The calculated results show that the optimized geometry can well reproduce the crystal structural parameters, for example, bond lengths and angles show good agreement with the experimental data.http://dx.doi.org/10.1155/2013/648121
collection DOAJ
language English
format Article
sources DOAJ
author Aamer Saeed
Ifzan Arshad
Ulrich Flörke
spellingShingle Aamer Saeed
Ifzan Arshad
Ulrich Flörke
Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide
Journal of Chemistry
author_facet Aamer Saeed
Ifzan Arshad
Ulrich Flörke
author_sort Aamer Saeed
title Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide
title_short Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide
title_full Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide
title_fullStr Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide
title_full_unstemmed Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide
title_sort synthesis, crystal structure, and dft study of n′-(2,4-dinitrophenyl)-2-fluorobenzohydrazide
publisher Hindawi Limited
series Journal of Chemistry
issn 2090-9063
2090-9071
publishDate 2013-01-01
description A new hydrazide derivative N′-(2,4-dinitrophenyl)-2-fluorobenzohydrazide was synthesized and characterized by NMR and IR spectroscopy. The molecular structure was also studied by X-ray diffraction, and the results of the optimized molecular structure are presented and compared with density functional methods with 631-G basis set. The calculated results show that the optimized geometry can well reproduce the crystal structural parameters, for example, bond lengths and angles show good agreement with the experimental data.
url http://dx.doi.org/10.1155/2013/648121
work_keys_str_mv AT aamersaeed synthesiscrystalstructureanddftstudyofn24dinitrophenyl2fluorobenzohydrazide
AT ifzanarshad synthesiscrystalstructureanddftstudyofn24dinitrophenyl2fluorobenzohydrazide
AT ulrichflorke synthesiscrystalstructureanddftstudyofn24dinitrophenyl2fluorobenzohydrazide
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