[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3361
[ doi:10.1107/S1600536812046077 ]

4-Aminopyridinium 2-chloro-4-nitrobenzoate monohydrate

K. L. Savig and A. Lemmerer


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT245_ALERT_2_C U(iso) H1W Smaller than U(eq) O1W by ... 0.029 AngSq PLAT245_ALERT_2_C U(iso) H2W Smaller than U(eq) O1W by ... 0.013 AngSq PLAT975_ALERT_2_C Positive Residual Density at 0.66A from O1W . 0.52 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.78 mm
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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