Acta Cryst. (2011). E67, o759  [ doi:10.1107/S1600536811006933 ]

4-(3-Fluorophenyl)-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-trifluoromethyl-1,3-diazinan-2-one

Q. He, J. Li and B.-J. Huang

Online 2 March 2011

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.003 Å
• R factor = 0.038
• wR factor = 0.082
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  F2     ..  F2      ..       2.60 Ang. 

Alert level C
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         12      

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C6      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C9      (Verify) ....          R      

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

   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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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