Acta Cryst. (2010). E66, o104  [ doi:10.1107/S1600536809052519 ]

5-Bromo-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

H. D. Choi, P. J. Seo, B. W. Son and U. Lee

Online 12 December 2009

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.025
• wR factor = 0.068
• Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found




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
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.56      
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br     ..  O2      ..       3.16 Ang. 

PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         11      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 

   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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   0 ALERT type 5 Informative message, check

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