(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3430
[ doi:10.1107/S1600536812046806 ]

4-(3-Chloro-2,2-dimethylpropanamido)benzenesulfonamide

S. P. Yalçin, M. Akkurt, M. Durgun, B. Türkkan and H. Türkmen

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.006 Å
R factor = 0.084
wR factor = 0.231
Data-to-parameter ratio = 24.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0062 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     33.998      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      6.127      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.781      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         18      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   7 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check