Acta Cryst. (2006). E62, o4420-o4421  [ doi:10.1107/S1600536806036464 ]

4-Carboxypyridinium hydrogen chloranilate monohydrate

K. Gotoh, Y. Tabuchi, H. Akashi and H. Ishida

Online 13 September 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.002 Å
• R factor = 0.036
• wR factor = 0.092
• Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.61      
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C6     ...       1.55 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1     ..  C12     ..       2.96 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1     ..  C11     ..       3.00 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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