Acta Cryst. (2009). E65, o2520  [ doi:10.1107/S1600536809036290 ]

Bis(4-ethoxyanilinium) sulfate trihydrate

X. Fu

Online 26 September 2009

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.054
• wR factor = 0.143
• Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O9W    -   H9D    ...       1.03 Ang. 
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9E    ..  S1      ..       2.98 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8C    ..  S1      ..       3.02 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported O8W    ..  S1      ..       3.85 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5      
              H2 O                                                             

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety         N1     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety         N2     

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

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

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