Acta Cryst. (2009). E65, o1132  [ doi:10.1107/S1600536809014895 ]

Dimethyl 1-(3-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate

J. Xiao, J.-Y. Yao and H. Zhao

Online 25 April 2009

Key indicators

• Single-crystal X-ray study
• T = 292 K
• Mean (C-C) = 0.003 Å
• R factor = 0.056
• wR factor = 0.147
• Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   291.500
            Value of melting point given =     0.000
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C11    -   C13    ...       1.45 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 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
   1 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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