N 1,N 4,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
The asymmetric unit of the title compound, C8H14N6O2, 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...
| Main Authors: | , , |
|---|---|
| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2012
|
| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379411/ |
| id |
pubmed-3379411 |
|---|---|
| recordtype |
oai_dc |
| 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 Organic Papers The asymmetric unit of the title compound, C8H14N6O2, 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Sun, Na-Bo Rao, Guo-Wu Shen, Qun |
| spellingShingle |
Sun, Na-Bo Rao, Guo-Wu Shen, Qun N 1,N 4,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
| author_facet |
Sun, Na-Bo Rao, Guo-Wu Shen, Qun |
| author_sort |
Sun, Na-Bo |
| title |
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_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_sort |
n
1,n
4,3,6-tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide |
| description |
The asymmetric unit of the title compound, C8H14N6O2, 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. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379411/ |
| _version_ |
1611538097346969600 |