Acta Cryst. (2012). E68, o189  [ doi:10.1107/S1600536811053633 ]

2-Chloro-N-(4-chloro-3-iodophenyl)-4-(methylsulfonyl)benzamide

D.-C. Wang, H. Song, C. Yang, W.-C. Huang and S. Yao

Online 21 December 2011

Key indicators

• Single-crystal X-ray study
• T = 290 K
• Mean (C-C) = 0.005 Å
• R factor = 0.028
• wR factor = 0.067
• Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level C
CELLV02_ALERT_1_C  The supplied cell volume s.u. differs from that
            calculated from the cell parameter s.u.'s by > 2
            Calculated cell volume su =      11.37
            Cell volume su given      =       9.00
PLAT431_ALERT_2_C Short Inter HL..A Contact  I1     ..  O3      ..       3.29 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  I1     ..  Cl2     ..       3.58 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C14 H10 Cl2 I N O3 S                                             
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          5      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ...          2 Units

   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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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