(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o804-o805 [ doi:10.1107/S1600536803010109 ]

4-(p-Fluorobenzylamino)-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

S. Isik, B. Kahveci, E. Agar and S. Sasmaz

Online 16 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.043
wR factor = 0.089
Data-to-parameter ratio = 15.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



GOODF_01  Alert C The least squares goodness of fit parameter lies              
          outside the range 0.80 <> 2.00                                        
          Goodness of fit given =      0.749                                    

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.07                 
         From the CIF: _reflns_number_total               2992                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3289                           
         Completeness (_total/calc)             90.97%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check