Acta Cryst. (2011). E67, o1802  [ doi:10.1107/S160053681102383X ]

2-(4-Chlorophenyl)-2-oxoethyl benzoate

H.-K. Fun, T. Shahani, B. Garudachari, A. M. Isloor and M. N. Satyganarayan

Online 25 June 2011

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.002 Å
• R factor = 0.044
• wR factor = 0.126
• Data-to-parameter ratio = 23.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C13    --  C14     ..        8.7 su   

Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          6      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         30      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

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

   0 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
   2 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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