Acta Cryst. (2011). E67, o2650  [ doi:10.1107/S1600536811036841 ]

3-(4-Bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

R. Prasath, P. Bhavana, S. W. Ng and E. R. T. Tiekink

Online 17 September 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.025
• wR factor = 0.069
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.972      
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  O1      ..       3.17 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         10      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         64      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          4      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   2 ALERT level G = General information/check it is not something unexpected

   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
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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