6-Methyl-N-(2-methyl­phen­yl)-3-phenyl-1,6-dihydro-1,2,4,5-tetra­zine-1-carbox­amide. Corrigendum

Corrigendum to Acta Cryst. (2008), E64, o1432.

Abstract

The formula of the title compound in the paper by Xu & Hu [Acta Cryst. (2008), E64, o1432] is corrected.

In the paper by Xu & Hu [Acta Cryst. (2008), E64, o1432], the chemical formula is corrected and the structure has been rerefined to include a missing H atom. The Crystal data, Data collection and Refinement sections are updated together with the hydrogen-bond data.

Experimental

Crystal data

• C₁₇H₁₇N₅O

• M _r = 307.36

• Monoclinic,

• a = 13.941 (6) Å

• b = 5.675 (2) Å

• c = 20.614 (8) Å

• β = 102.055 (6)°

• V = 1594.8 (11) ų

• Z = 4

• Mo Kα radiation

• μ = 0.08 mm⁻¹

• T = 293 (2) K

• 0.12 × 0.10 × 0.06 mm

Data collection

• Bruker SMART APEX CCD area-detector diffractometer

• Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.990, T _max = 0.995

• 7095 measured reflections

• 3280 independent reflections

• 1899 reflections with I > 2σ(I)

• R _int = 0.087

Refinement

• R[F ² > 2σ(F ²)] = 0.064

• wR(F ²) = 0.170

• S = 0.91

• 3280 reflections

• 215 parameters

• 1 restraint

• H atoms treated by a mixture of independent and constrained refinement

• Δρ_max = 0.54 e Å⁻³

• Δρ_min = −0.31 e Å⁻³

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C6—H6⋯Oi	0.93	2.56	3.385 (3)	148

Symmetry code: (i) .