Acta Cryst. (2009). E65, o824  [ doi:10.1107/S1600536809008599 ]

4,4'-(1,2,4,5-Tetrazine-3,6-diyl)dibenzonitrile

G. Dutkiewicz, T. Borowiak and J. Spychala

Online 25 March 2009

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.002 Å
• R factor = 0.044
• wR factor = 0.135
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C7     --  C10     ..       7.23 su   

Alert level C
            Value of measurement temperature given =   291.000
            Value of melting point given =     0.000
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C7     -   C10    ...       1.45 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8     ..  N2      ..       2.85 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  N10     ..       2.75 Ang. 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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