Acta Cryst. (2007). E63, m1688  [ doi:10.1107/S1600536807024178 ]

Potassium N-chlorobenzenesulfonamidate monohydrate

B. T. Gowda, S. Foro, J. Kozísek and H. Fuess

Online 26 May 2007

Key indicators

• Single-crystal X-ray study
• T = 303 K
• Mean (C-C) = 0.009 Å
• R factor = 0.046
• wR factor = 0.123
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96      
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C1     -C6            1.37 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          9      
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.849(10) ......       4.00 su-Ra
              O3   -H31O    1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.85(4), Rep   0.846(10) ......       4.00 su-Ra
              O3   -H32O    1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.849(10) ......       4.00 su-Ra
              O3   -H31O    1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(4), Rep   0.846(10) ......       4.00 su-Ra
              O3   -H32O    1.555   1.555                                      
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.71 Ratio
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      33.70 Deg. 
              O2   -S1   -K1      1.555   1.555   7.765                        

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

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

   4 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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