Acta Cryst. (2012). E68, o109  [ doi:10.1107/S1600536811052858 ]

2-(Dibromomethyl)benzoic acid

H.-Y. Lin, S.-K. Fang and K.-Y. Chen

Online 14 December 2011

Key indicators

• Single-crystal X-ray study
• T = 297 K
• Mean (C-C) = 0.014 Å
• R factor = 0.091
• wR factor = 0.227
• Data-to-parameter ratio = 20.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0136 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        272      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.74 mm   
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
   4 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 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
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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