Acta Cryst. (2010). E66, o1081  [ doi:10.1107/S1600536810013012 ]

4-(5-Phenyl-1,2,4-triazolo[3,4-a]isoquinolin-3-yl)benzonitrile

F. N. Khan, P. Manivel, K. Prabakaran, V. R. Hathwar and M. Akkurt

Online 14 April 2010

Key indicators

• Single-crystal X-ray study
• T = 290 K
• Mean (C-C) = 0.003 Å
• R factor = 0.046
• wR factor = 0.100
• Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         47 Perc.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C20    --  C23     ..       5.68 su   
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C20    -   C23    ...       1.45 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         12      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   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
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster