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3,6-Dimethyl-N (1),N (4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide
In the title molecule, C(16)H(16)N(8)O(2), four atoms of the tetrazine ring are coplanar, with the largest deviation from the plane being 0.0236 (12) Å; the other two atoms of the tetrazine ring deviate on the same side from this plane by 0.320 (4) and 0.335 (4) Å. Therefore, the central tetrazi...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295480/ https://www.ncbi.nlm.nih.gov/pubmed/22412591 http://dx.doi.org/10.1107/S1600536812005405 |
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author | Rao, Guo-Wu Guo, Yan-Mei Shen, Qun |
author_facet | Rao, Guo-Wu Guo, Yan-Mei Shen, Qun |
author_sort | Rao, Guo-Wu |
collection | PubMed |
description | In the title molecule, C(16)H(16)N(8)O(2), four atoms of the tetrazine ring are coplanar, with the largest deviation from the plane being 0.0236 (12) Å; the other two atoms of the tetrazine ring deviate on the same side from this plane by 0.320 (4) and 0.335 (4) Å. Therefore, the central tetrazine ring exhibits a boat conformation. The dihedral angles between the mean plane of the four coplanar atoms of the tetrazine ring and the two pyridine rings are 26.22 (10) and 6.97 (5)°. The two pyridine rings form a dihedral angle of 31.27 (8)°. In the molecule, there are a number of short C—H⋯O interactions. In the crystal, molecules are linked via a C—H⋯O interaction to form zigzag chains propagating along the [010] direction. |
format | Online Article Text |
id | pubmed-3295480 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32954802012-03-12 3,6-Dimethyl-N (1),N (4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide Rao, Guo-Wu Guo, Yan-Mei Shen, Qun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(16)H(16)N(8)O(2), four atoms of the tetrazine ring are coplanar, with the largest deviation from the plane being 0.0236 (12) Å; the other two atoms of the tetrazine ring deviate on the same side from this plane by 0.320 (4) and 0.335 (4) Å. Therefore, the central tetrazine ring exhibits a boat conformation. The dihedral angles between the mean plane of the four coplanar atoms of the tetrazine ring and the two pyridine rings are 26.22 (10) and 6.97 (5)°. The two pyridine rings form a dihedral angle of 31.27 (8)°. In the molecule, there are a number of short C—H⋯O interactions. In the crystal, molecules are linked via a C—H⋯O interaction to form zigzag chains propagating along the [010] direction. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295480/ /pubmed/22412591 http://dx.doi.org/10.1107/S1600536812005405 Text en © Rao et al. 2012 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 Rao, Guo-Wu Guo, Yan-Mei Shen, Qun 3,6-Dimethyl-N (1),N (4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
title | 3,6-Dimethyl-N
(1),N
(4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_full | 3,6-Dimethyl-N
(1),N
(4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_fullStr | 3,6-Dimethyl-N
(1),N
(4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_full_unstemmed | 3,6-Dimethyl-N
(1),N
(4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_short | 3,6-Dimethyl-N
(1),N
(4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_sort | 3,6-dimethyl-n
(1),n
(4)-bis(pyridin-2-yl)-1,2,4,5-tetrazine-1,4-dicarboxamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295480/ https://www.ncbi.nlm.nih.gov/pubmed/22412591 http://dx.doi.org/10.1107/S1600536812005405 |
work_keys_str_mv | AT raoguowu 36dimethyln1n4bispyridin2yl1245tetrazine14dicarboxamide AT guoyanmei 36dimethyln1n4bispyridin2yl1245tetrazine14dicarboxamide AT shenqun 36dimethyln1n4bispyridin2yl1245tetrazine14dicarboxamide |