Acta Cryst. (2011). E67, o328-o329  [ doi:10.1107/S1600536811000687 ]

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

Z. Baktir, M. Akkurt, S. Samshuddin, B. Narayana and H. S. Yathirajan

Online 12 January 2011

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.007 Å
• R factor = 0.062
• wR factor = 0.184
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.18
            Rint given   0.224
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         35 Perc.

Alert level C
THETM01_ALERT_3_C  The value of sine(theta_max)/wavelength is less than 0.590
            Calculated sin(theta_max)/wavelength =    0.5835
PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6]..      24.50 Deg. 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C9     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          6      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/a      
PLAT793_ALERT_4_G The Model has Chirality at C10     (Verify) ....          R      

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   2 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
   6 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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