(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1136-o1138 [ doi:10.1107/S1600536802016902 ]

3-(1-Methyl-5-nitroimidazol-2-yl)-1-(methylsulfonyl)imidazolidin-2-one

L. Damodharan, V. Pattabhi and K. Nagarajan

Online 27 September 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
R factor = 0.060
wR factor = 0.176
Data-to-parameter ratio = 10.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           71.70                 
         From the CIF: _reflns_number_total               1195                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1269                           
         Completeness (_total/calc)             94.17%                          
          Alert C: < 95% complete                                               

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           71.70                 
         From the CIF: _reflns_number_total               1195                  
         Count of symmetry unique reflns         1269                           
         Completeness (_total/calc)             94.17%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check