Acta Cryst. (2004). E60, o1351-o1352  [ doi:10.1107/S1600536804016678 ]

1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H-pyrazole-3-carbonitrile

Z. Yang, P. Zhong and M. Hu

Online 17 July 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.055
• wR factor = 0.165
• Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....         C1     

Alert level C
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C10    -   C11    ...       1.44 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1     ..  O1      ..       2.89 Ang.  

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   2 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
   3 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

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