Acta Cryst. (2004). E60, o219-o221  [ doi:10.1107/S160053680400073X ]

1,3-Bis(2-phenylethyl)benzimidazolium-2-dithiocarboxylate

M. Akkurt, S. Öztürk, H. Küçükbay, E. Orhan and O. Büyükgüngör

Online 17 January 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.035
• wR factor = 0.084
• Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc. 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C19    -   C20      =       5.19 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C33    -   C38      =       6.57 su    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C9     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C16     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C19     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C33     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C40     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C43     
PLAT331_ALERT_2_C Small Av. Phenyl C-C Dist. C9     -   C14      =       1.37 Ang.  
PLAT331_ALERT_2_C Small Av. Phenyl C-C Dist. C19    -   C24      =       1.37 Ang.  
PLAT331_ALERT_2_C Small Av. Phenyl C-C Dist. C33    -   C38      =       1.36 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 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
  11 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

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