Acta Cryst. (2012). E68, o736  [ doi:10.1107/S1600536812006137 ]

4-Oxo-2,4-diphenylbutanenitrile

A.A.-M. Abdel-Aziz, A. S. El-Azab, S. W. Ng and E. R. T. Tiekink

Online 17 February 2012

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.036
• wR factor = 0.097
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.978      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C9     --  C10     ..        6.6 su   
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         10      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         46      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT793_ALERT_4_G The Model has Chirality at C9      (Verify) ....          R      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   4 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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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