[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2749
[ doi:10.1107/S1600536812035854 ]

2-Amino-5-(4-carboxylatophenyl)pyridinium monohydrate

X.-H. Wei, H. Yan and W.-G. Lin


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 57.208 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 8.817 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.931 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 H2 O PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 17
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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