(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1203-o1205 [ doi:10.1107/S1600536801019511 ]

2,5-Dichloroaniline, a monoclinic structure with a pseudo-tetragonal unit cell

P. J. Cox

Online 24 November 2001

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.002 Å
R factor = 0.026
wR factor = 0.074
Data-to-parameter ratio = 10.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.00                 
         From the CIF: _reflns_number_total               1088                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1302                           
         Completeness (_total/calc)             83.56%                          
          Alert A: < 85% complete (theta max?)                                  


 Alert Level B:



CELLV_02  Alert B The supplied cell volume s.u. differs from that               
          calculated from the cell parameter s.u.'s by > 4                      
          Calculated cell volume su =       4.93                                
          Cell volume su given      =      11.00                                


 Alert Level C:



PLAT_420  Alert C D-H Without Acceptor       N(1)   -   H(1A)             ?


 1 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check