Acta Cryst. (2010). E66, o2722-o2723  [ doi:10.1107/S1600536810039036 ]

N-(4-Bromophenyl)pyrazine-2-carboxamide

M. de Lima Ferreira, M. V. N. de Souza, S. M. S. V. Wardell, J. L. Wardell and E. R. T. Tiekink

Online 9 October 2010

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.009 Å
• R factor = 0.054
• wR factor = 0.163
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          9      
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  N2      ..       3.21 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          9      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 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
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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