Acta Cryst. (2009). E65, o726  [ doi:10.1107/S1600536809008101 ]

2-(5-Bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid

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

Online 11 March 2009

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.036
• wR factor = 0.094
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   298.000
            Value of melting point given =     0.000
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5     ..  O4      ..       2.62 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6     ..  O2      ..       2.68 Ang. 

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

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