N1,N4,3,6-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...

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Bibliographic Details
Main Authors: Na-Bo Sun, Guo-Wu Rao, Qun Shen
Format: Article
Language:English
Published: International Union of Crystallography 2012-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812022519
Description
Summary: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.
ISSN:1600-5368