Acta Cryst. (2010). E66, o2662  [ doi:10.1107/S1600536810038079 ]

3-(2-Formylphenoxy)propanoic acid

A. Collas, C. M. L. Vande Velde and F. Blockhuys

Online 30 September 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.047
• wR factor = 0.119
• Data-to-parameter ratio = 10.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT245_ALERT_2_C U(iso) H4      Smaller than U(eq) C4      by ...       0.01 AngSq
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21A   ..  O1      ..       2.64 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3     ..  O4      ..       2.71 Ang. 

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

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

   2 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
   0 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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