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N (1),N (4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
The asymmetric unit of the title compound, C(8)H(14)N(6)O(2), contains two independent molecules. In one molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.028 (1) Å] through the four other atoms in the ring by 0.350 (2) and 0.344 (2) Å, fo...
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/PMC3379411/ https://www.ncbi.nlm.nih.gov/pubmed/22719609 http://dx.doi.org/10.1107/S1600536812022519 |
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author | Sun, Na-Bo Rao, Guo-Wu Shen, Qun |
author_facet | Sun, Na-Bo Rao, Guo-Wu Shen, Qun |
author_sort | Sun, Na-Bo |
collection | PubMed |
description | The asymmetric unit of the title compound, C(8)H(14)N(6)O(2), contains two independent molecules. In one molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.028 (1) Å] through the four other atoms in the ring by 0.350 (2) and 0.344 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 10.46 (13) and 20.41 (12)° with the four approximtely planar atoms in the tetrazine ring. In the other molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.033 (1) Å] through the four other atoms in the ring by 0.324 (2) and 0.307 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 14.66 (11) and 17.08 (10)° with the four approximately planar atoms of the tetrazine ring. In the crystal, N—H⋯O hydrogen bonds connect molecules to form a two-dimensional network parallel to (1-1-1). Intramolecular N—H⋯N hydrogen bonds are observed. |
format | Online Article Text |
id | pubmed-3379411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33794112012-06-20 N (1),N (4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide Sun, Na-Bo Rao, Guo-Wu Shen, Qun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(8)H(14)N(6)O(2), contains two independent molecules. In one molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.028 (1) Å] through the four other atoms in the ring by 0.350 (2) and 0.344 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 10.46 (13) and 20.41 (12)° with the four approximtely planar atoms in the tetrazine ring. In the other molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.033 (1) Å] through the four other atoms in the ring by 0.324 (2) and 0.307 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 14.66 (11) and 17.08 (10)° with the four approximately planar atoms of the tetrazine ring. In the crystal, N—H⋯O hydrogen bonds connect molecules to form a two-dimensional network parallel to (1-1-1). Intramolecular N—H⋯N hydrogen bonds are observed. International Union of Crystallography 2012-05-23 /pmc/articles/PMC3379411/ /pubmed/22719609 http://dx.doi.org/10.1107/S1600536812022519 Text en © Sun 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 Sun, Na-Bo Rao, Guo-Wu Shen, Qun N (1),N (4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
title |
N
(1),N
(4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_full |
N
(1),N
(4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_fullStr |
N
(1),N
(4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_full_unstemmed |
N
(1),N
(4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_short |
N
(1),N
(4),3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
title_sort | n
(1),n
(4),3,6-tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379411/ https://www.ncbi.nlm.nih.gov/pubmed/22719609 http://dx.doi.org/10.1107/S1600536812022519 |
work_keys_str_mv | AT sunnabo n1n436tetramethyl1245tetrazine14dicarboxamide AT raoguowu n1n436tetramethyl1245tetrazine14dicarboxamide AT shenqun n1n436tetramethyl1245tetrazine14dicarboxamide |