Acta Cryst. (2012). E68, o595  [ doi:10.1107/S1600536812003297 ]

3-Methoxy-3-oxopropanaminium chloride

T. Gruber, C. J. Schofield and A. L. Thompson

Online 4 February 2012

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.002 Å
• R factor = 0.032
• wR factor = 0.080
• Data-to-parameter ratio = 21.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) .....         11      

Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H53    ..  O4      ..       2.67 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H72    ..  CL1     ..       2.84 Ang. 
PLAT758_ALERT_4_C D-H..A  Calc      171.00, Rep   170.64(3) ......  Senseless su   
              N8   -H82  -CL1     1.555   1.555   1.555      #         28      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          3      
PLAT808_ALERT_5_G No Parseable SHELXL Style Weighting Scheme Found          !
PLAT929_ALERT_5_G No Weight Pars,Obs and Calc R1,wR2,S not checked          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

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

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