Synthesis, Crystal Structure, and DFT Study ofN′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide-Reference-Cited by-同舟云学术

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

Published:2013 Issue: Volume:2013 Page:1-5
ISSN:2090-9063
Container-title:Journal of Chemistry
language:en
Short-container-title:Journal of Chemistry

Author:

Saeed Aamer¹^ORCID,Arshad Ifzan¹^ORCID,Flörke Ulrich²

Affiliation:

1. Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, Pakistan

2. Anorganische und Analytische Chemie, Universität Paderborn, Warburger straße 100, 33098 Paderborn, Germany

Abstract

A new hydrazide derivativeN′-(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.

Publisher

Hindawi Limited

Subject

General Chemistry

Link

http://downloads.hindawi.com/journals/jchem/2013/648121.pdf

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