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Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate
The structure of the title compound, C(19)H(17)BrN(2)O(3), consists of two cyclic groups, viz. 4-(methoxycarbonyl)phenyl and 6-(4-bromophenyl)-3-oxo-2,3,4,5-dihydropyridazin-4-yl, which are linked by a methylene spacer. The pyridazine ring is twisted and the dihedral angle between its mean pl...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089372/ https://www.ncbi.nlm.nih.gov/pubmed/21754527 http://dx.doi.org/10.1107/S160053681101467X |
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author | Bortoluzzi, Adailton J. Souza, Luciana B. P. Joussef, Antônio C. Meyer, Emerson |
author_facet | Bortoluzzi, Adailton J. Souza, Luciana B. P. Joussef, Antônio C. Meyer, Emerson |
author_sort | Bortoluzzi, Adailton J. |
collection | PubMed |
description | The structure of the title compound, C(19)H(17)BrN(2)O(3), consists of two cyclic groups, viz. 4-(methoxycarbonyl)phenyl and 6-(4-bromophenyl)-3-oxo-2,3,4,5-dihydropyridazin-4-yl, which are linked by a methylene spacer. The pyridazine ring is twisted and the dihedral angle between its mean plane and that of the bromophenyl mean plane is 17.2 (2)°. The 4-(methoxycarbonyl)phenyl group shows a quasi-planar conformation, where the dihedral angle between the mean planes of the phenyl ring and carboxylate ester group is 7.9 (4)°. Centrosymmetric intermolecular N—H⋯O hydrogen bonds form dimers. These are linked by C—Br⋯O=C interactions [Br⋯O = 3.10 (1) Å] to form a one-dimensional polymeric structure running along the [1[Image: see text]0] direction. |
format | Text |
id | pubmed-3089372 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30893722011-07-13 Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate Bortoluzzi, Adailton J. Souza, Luciana B. P. Joussef, Antônio C. Meyer, Emerson Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, C(19)H(17)BrN(2)O(3), consists of two cyclic groups, viz. 4-(methoxycarbonyl)phenyl and 6-(4-bromophenyl)-3-oxo-2,3,4,5-dihydropyridazin-4-yl, which are linked by a methylene spacer. The pyridazine ring is twisted and the dihedral angle between its mean plane and that of the bromophenyl mean plane is 17.2 (2)°. The 4-(methoxycarbonyl)phenyl group shows a quasi-planar conformation, where the dihedral angle between the mean planes of the phenyl ring and carboxylate ester group is 7.9 (4)°. Centrosymmetric intermolecular N—H⋯O hydrogen bonds form dimers. These are linked by C—Br⋯O=C interactions [Br⋯O = 3.10 (1) Å] to form a one-dimensional polymeric structure running along the [1[Image: see text]0] direction. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089372/ /pubmed/21754527 http://dx.doi.org/10.1107/S160053681101467X Text en © Bortoluzzi et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Bortoluzzi, Adailton J. Souza, Luciana B. P. Joussef, Antônio C. Meyer, Emerson Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
title | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
title_full | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
title_fullStr | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
title_full_unstemmed | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
title_short | Methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
title_sort | methyl 4-{[6-(4-bromophenyl)-3-oxo-2,3,4,5-tetrahydropyridazin-4-yl]methyl}benzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089372/ https://www.ncbi.nlm.nih.gov/pubmed/21754527 http://dx.doi.org/10.1107/S160053681101467X |
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