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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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/648121 |
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| _version_ | 1832554620965093376 |
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| author | Aamer Saeed Ifzan Arshad Ulrich Flörke |
| author_facet | Aamer Saeed Ifzan Arshad Ulrich Flörke |
| author_sort | Aamer Saeed |
| collection | DOAJ |
| 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. |
| format | Article |
| id | doaj-art-27bdde46d1bd4054913f5d99104fba4d |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-27bdde46d1bd4054913f5d99104fba4d2025-02-03T05:50:58ZengWileyJournal 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 |
| spellingShingle | Aamer Saeed Ifzan Arshad Ulrich Flörke Synthesis, Crystal Structure, and DFT Study of N′-(2,4-Dinitrophenyl)-2-Fluorobenzohydrazide Journal of Chemistry |
| title | 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_short | 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 |
| url | http://dx.doi.org/10.1155/2013/648121 |
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