Acta Cryst. (2005). E61, o824-o826  [ doi:10.1107/S1600536805006197 ]

Diethyl 2-aminothiazole-4,5-dicarboxylate hemihydrate

D. E. Lynch and I. McClenaghan

Online 4 March 2005

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.003 Å
• R factor = 0.046
• wR factor = 0.122
• Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio 
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT322_ALERT_2_C Check Hybridisation of  S1A    in Main Residue .          ?     
PLAT322_ALERT_2_C Check Hybridisation of  S1B    in Main Residue .          ?     
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C9 H12 N2 O4 S                                                    
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              H2 O                                                              

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 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
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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