Acta Cryst. (2011). E67, o1019  [ doi:10.1107/S1600536811011494 ]

3,5-Bis(4-methylphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

R. J. Butcher, M. Akkurt, S. Samshuddin, B. Narayana and H. S. Yathirajan

Online 31 March 2011

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.002 Å
• R factor = 0.043
• wR factor = 0.119
• Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found




Alert level C
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         49      

Alert level G
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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