Acta Cryst. (2011). E67, o1978  [ doi:10.1107/S1600536811026729 ]

2-(5-Fluoro-7-methyl-3-methylsulfanyl-1-benzofuran-2-yl)acetic acid

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

Online 9 July 2011

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.048
• wR factor = 0.153
• Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O3     ..  O3      ..       2.79 Ang. 

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     --  C11     ..        5.1 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
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         22      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?

   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
   1 ALERT level G = General information/check it is not something unexpected

   0 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
   1 ALERT type 5 Informative message, check

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