(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o57-o58 [ doi:10.1107/S1600536801020694 ]

5-[(6-Chloro-[1,3]benzothiazol-2-ylamino)methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione

J. N. Low, J. Cobo, M. Nogueras, A. Sánchez, P. Hernández and J. Quiroga

Online 14 December 2001

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.005 Å
R factor = 0.054
wR factor = 0.116
Data-to-parameter ratio = 13.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.42                 
         From the CIF: _reflns_number_total               2714                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3229                           
         Completeness (_total/calc)             84.05%                          
          Alert A: < 85% complete (theta max?)

Author response: ...As can be seen the crystal is a very thin plate and this probably contributes to the difficulty. Experience shows that crystals of materials of this class of compound produce in many cases very small crystals and that re-crystallisation does not help.


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 0 Alert Level C = Please check