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Acta Crystallogr Sect E Struct Rep Online. 2010 February 1; 66(Pt 2): e15.
Published online 2010 January 9. doi:  10.1107/S160053680903013X
PMCID: PMC2979741

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

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, An external file that holds a picture, illustration, etc.
Object name is e-66-00e15-efi1.jpg
  • a = 13.941 (6) Å
  • b = 5.675 (2) Å
  • c = 20.614 (8) Å
  • β = 102.055 (6)°
  • V = 1594.8 (11) Å3
  • 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 [triangle]) 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
  • Δρmax = 0.54 e Å−3
  • Δρmin = −0.31 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053680903013X/lx9060sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680903013X/lx9060Isup2.hkl

References

  • Xu, F. & Hu, W. (2008). Acta Cryst. E64, o1432. [PMC free article] [PubMed]
  • Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.

Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography