Abstract
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.
Highlights
The asymmetric unit of the title compound, C8H14N6O2, contains two independent molecules
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2
Summary
Na-Bo Sun,a Guo-Wu Raob* and Qun Shenc a College of Biology and Environmental Engineering, Zhejiang Shuren University, Hangzhou 310015, People’s Republic of China, bCollege of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou 310014, People’s Republic of China, and cHangzhou Institute of Calibration and Testing for Quality and Technical R factor = 0.044; wR factor = 0.115; data-to-parameter ratio = 12.8.
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