(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1206-o1208 [ doi:10.1107/S1600536801018001 ]

N-HO and O-HO hydrogen bonds in crystal engineering: trimethoprim hydrogen glutarate

J. J. Robert, S. B. Raj and P. T. Muthiah

Online 24 November 2001

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.048
wR factor = 0.140
Data-to-parameter ratio = 8.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           70.90                 
         From the CIF: _reflns_number_total               3203                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3958                           
         Completeness (_total/calc)             80.92%                          
          Alert A: < 85% complete (theta max?)

Author response: Due to poor data we couldn't achieve more than 85%


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 0 Alert Level C = Please check