Acta Cryst. (2011). E67, o2798  [ doi:10.1107/S1600536811038724 ]

6-Methoxy-2-methyl-1-phenyl-1H-indole-3-carbonitrile

Q. Yan and X. Qi

Online 30 September 2011

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.003 Å
• R factor = 0.041
• wR factor = 0.095
• Data-to-parameter ratio = 17.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         44 Perc.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     --  C11     ..        5.8 su   
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          9      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         61      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C7     -   C11    ...       1.42 Ang. 
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         32     
            C8  -C7  -C11 -N2    -83.00 10.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         33     
            C6  -C7  -C11 -N2     95.00 10.00   1.555   1.555   1.555   1.555  

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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