(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o870-o872 [ doi:10.1107/S1600536805006252 ]

3-(4-Chlorobenzyl)-5-(4-oxo-4H-chromen-3-ylmethylene)-1,3-thiazolidine-2,4-dione

Ö. Özgen, M. Ceylan-Ünlüsoy, O. Bozdag-Dündar, R. Ertan and E. Kendi

Online 11 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.048
wR factor = 0.125
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.388     0.595
            Tmin and Tmax expected:      0.342     0.602
            RR =      1.150
            Please check that your absorption correction is appropriate.
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.15       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H16    ..  O1      ..       2.89 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H19    ..  O4      ..       2.71 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H20    ..  O4      ..       2.83 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion