N,N′-Bis(2,6-diisopropylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

In the title molecule, C30H42N6O2, the amide-substituted N atoms of the tetrazine ring deviate from the approximate plane of the four other atoms in the ring by 0.457 (3) and 0.463 (3) Å, forming a boat conformation. The two benzene rings form a dihedral angle of 47.69 (9)°. Intramolecular N—H⋯N and weak C—H⋯O hydrogen bonds are observed.

In the title molecule, C 30 H 42 N 6 O 2 , the amide-substituted N atoms of the tetrazine ring deviate from the approximate plane of the four other atoms in the ring by 0.457 (3) and 0.463 (3) Å , forming a boat conformation. The two benzene rings form a dihedral angle of 47.69 (9) . Intramolecular N-HÁ Á ÁN and weak C-HÁ Á ÁO hydrogen bonds are observed.

Experimental
The molecular structure of (I) is illustrated in Fig. 1 (Allen et al., 1987). The tetrazine ring is a 1,4-dihydro structure with the N-substituted groups at the 1,4-positions.

Refinement
H atoms were included in calculated positions and refined using a riding model. H atoms were given isotropic displacement parameters equal to 1.2 (or 1.5 for methyl H atoms) times the equivalent isotropic displacement parameters of their parent atoms, and C-H distances were set to 0.96 Å for methyl H atoms, 0.93 Å for phenyl H atoms and 0.98 Å for methine H atoms, while N-H distances were set to 0.86 Å. (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figure 1
The molecular structure of (I), shown with 30% probability displacement ellipsoids. Hydrogen bonds are shown as dashed lines. Hydrogen site location: inferred from neighbouring sites H-atom parameters constrained

N,N′-Bis(2,6-diisopropylphenyl)-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.20 e Å −3 Δρ min = −0.21 e Å −3 Special details Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.