Acta Cryst. (2011). E67, o1900  [ doi:10.1107/S1600536811025256 ]

rac-2-Aminopyridinium cis-2-carboxycyclohexane-1-carboxylate

G. Smith and U. D. Wermuth

Online 2 July 2011

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean (C-C) = 0.002 Å
• R factor = 0.033
• wR factor = 0.081
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          5      

Alert level G
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal ..........    0.00050 Ang. 
PLAT793_ALERT_4_G The Model has Chirality at C1      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C2      (Verify) ....          R      

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

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