Acta Cryst. (2010). E66, o1015  [ doi:10.1107/S1600536810011700 ]

Propane-1,3-diyl bis(pyridine-4-carboxylate)

I. Brito, J. Vallejos, M. Bolte, M. López-Rodríguez and A. Cárdenas

Online 2 April 2010

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.043
• wR factor = 0.094
• Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT480_ALERT_4_B Long H...A H-Bond Reported H3A    ..  O1      ..       2.98 Ang. 

Alert level C
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          3      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13    ..  N14     ..       2.65 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H15    ..  N14     ..       2.72 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3B    ..  O1      ..       2.62 Ang. 
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          3      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   6 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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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