(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o50-o52 [ doi:10.1107/S160053680102089X ]

The 1:1 complex of 3,5-dinitrobenzoic acid and 4-methylpyridine N-oxide

R. Moreno-Fuquen, M. L. Zambrano, M. Grajales-Tamayo, J. Zukerman-Schpector and A. R. Kennedy

Online 14 December 2001

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.002 Å
R factor = 0.035
wR factor = 0.095
Data-to-parameter ratio = 14.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.50                 
         From the CIF: _reflns_number_total               2973                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3141                           
         Completeness (_total/calc)             94.65%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check