(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3475-o3476
[ doi:10.1107/S1600536812048118 ]

4-(5-Chloropentanamido)benzenesulfonamide

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

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
R factor = 0.065
wR factor = 0.169
Data-to-parameter ratio = 23.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0041 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      6.003      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          5      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         30      

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

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