Acta Cryst. (2009). E65, o275-o276  [ doi:10.1107/S1600536809000488 ]

Ethyl 5-amino-1-(4-chloro-2-nitrophenyl)-1H-pyrazole-4-carboxylate

M. Zia-ur-Rehman, M. R. J. Elsegood, J. A. Choudary, M. Fasih Ullah and H. L. Siddiqui

Online 10 January 2009

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.002 Å
• R factor = 0.034
• wR factor = 0.096
• Data-to-parameter ratio = 21.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl1    ..  O1      ..       3.02 Ang. 
PLAT063_ALERT_4_C Crystal Probably too Large for Beam Size .......       0.79 mm   
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A    ..  O2      ..       2.61 Ang. 

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

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