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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...

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Detalles Bibliográficos
Autores principales: Rao, Guo-Wu, Guo, Yan-Mei, Shen, Qun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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
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