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Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one
The title compound, C(14)H(13)N(3)O(5) (HMNP), was synthesized by the simple condensation of p-nitrophenylhydrazine with dehydroacetic acid (DHA) in a 1:1 molar ratio in ethanol. HMNP has been characterized by using FT–IR, (1)H and (13)C NMR and UV–Vis spectroscopic and single-crystal X-ray diff...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290570/ https://www.ncbi.nlm.nih.gov/pubmed/28217347 http://dx.doi.org/10.1107/S2056989017000639 |
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author | Kirandeep, Husain, Ahmad Negi, Pooja Kumar, Girijesh Kataria, Ramesh |
author_facet | Kirandeep, Husain, Ahmad Negi, Pooja Kumar, Girijesh Kataria, Ramesh |
author_sort | Kirandeep, |
collection | PubMed |
description | The title compound, C(14)H(13)N(3)O(5) (HMNP), was synthesized by the simple condensation of p-nitrophenylhydrazine with dehydroacetic acid (DHA) in a 1:1 molar ratio in ethanol. HMNP has been characterized by using FT–IR, (1)H and (13)C NMR and UV–Vis spectroscopic and single-crystal X-ray diffraction techniques. The crystal packing reveals strong hydrogen bonds between the NH group and the carbonyl O atom of dihydropyranone moiety, forming chains along [101]. The thermal stability of the synthesized compound was confirmed by thermogravimetric analysis and it was found to be stable up to 513 K. The UV–Vis spectrum shows the presence of a strong band at λ(max) 394 nm. (1)H NMR and single-crystal X-ray analyses confirmed the presence of the enol form of the ligand and dominance over the keto form. The crystal studied was a non-merohedral twin with the refined ratio of the twin components being 0.3720 (19):0.6280 (19). |
format | Online Article Text |
id | pubmed-5290570 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-52905702017-02-17 Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one Kirandeep, Husain, Ahmad Negi, Pooja Kumar, Girijesh Kataria, Ramesh Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(14)H(13)N(3)O(5) (HMNP), was synthesized by the simple condensation of p-nitrophenylhydrazine with dehydroacetic acid (DHA) in a 1:1 molar ratio in ethanol. HMNP has been characterized by using FT–IR, (1)H and (13)C NMR and UV–Vis spectroscopic and single-crystal X-ray diffraction techniques. The crystal packing reveals strong hydrogen bonds between the NH group and the carbonyl O atom of dihydropyranone moiety, forming chains along [101]. The thermal stability of the synthesized compound was confirmed by thermogravimetric analysis and it was found to be stable up to 513 K. The UV–Vis spectrum shows the presence of a strong band at λ(max) 394 nm. (1)H NMR and single-crystal X-ray analyses confirmed the presence of the enol form of the ligand and dominance over the keto form. The crystal studied was a non-merohedral twin with the refined ratio of the twin components being 0.3720 (19):0.6280 (19). International Union of Crystallography 2017-01-20 /pmc/articles/PMC5290570/ /pubmed/28217347 http://dx.doi.org/10.1107/S2056989017000639 Text en © Kirandeep et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Kirandeep, Husain, Ahmad Negi, Pooja Kumar, Girijesh Kataria, Ramesh Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one |
title | Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one |
title_full | Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one |
title_fullStr | Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one |
title_full_unstemmed | Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one |
title_short | Crystal structure of (E)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-pyran-2-one |
title_sort | crystal structure of (e)-4-hydroxy-6-methyl-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2h-pyran-2-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290570/ https://www.ncbi.nlm.nih.gov/pubmed/28217347 http://dx.doi.org/10.1107/S2056989017000639 |
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