Acta Cryst. (2011). E67, o1581  [ doi:10.1107/S1600536811020873 ]

1,4-Dihydroquinoxaline-2,3-dione-5-nitroisophthalic acid-water (1/1/1)

M.-F. Wang

Online 4 June 2011

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.002 Å
• R factor = 0.033
• wR factor = 0.095
• Data-to-parameter ratio = 11.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.596         37      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        400 Deg. 
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          71 Perc.

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

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

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