[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1609
[ doi:10.1107/S1600536813026779 ]

4-Nitro­anilinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate monohydrate

P. K. Sivakumar, M. K. Kumar, G. Chakkaravarthi, R. M. Kumar and R. Kanagadurai


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N2 Check
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 5 Why ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 2 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 117 PLAT950_ALERT_5_G Reported and Calculated Hmax Values Differ by .. 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 1 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 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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