(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1223-o1225 [ doi:10.1107/S1600536803015988 ]

4-(m-Chlorobenzylamino)-3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one

N. Özdemir, M. Dinçer, B. Kahveci, E. Agar and S. Sasmaz

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.039
wR factor = 0.126
Data-to-parameter ratio = 9.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



CRYSC_01  Alert C The word below has not been recognised as a standard          
          identifier.                                                           
          colourless'                                                           

CRYSC_01  Alert C No recognised colour has been given for crystal colour.       

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.80                 
         From the CIF: _reflns_number_total               2327                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         2491                           
         Completeness (_total/calc)             93.42%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check