Acta Cryst. (2004). E60, o1739-o1741  [ doi:10.1107/S1600536804022056 ]

6-Amino-5,5-diisopropyl-5H-pyrimidine-2,4-dione hemihydrate

W. Lewis, R. H. McKeown and W. T. Robinson

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 163 K
• R factor = 0.035
• wR factor = 0.098
• Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.831     0.970
            Tmin' and Tmax expected:      0.949     0.973
            RR' =      0.878
            Please check that your absorption correction is appropriate.
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 
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.88       

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

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

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