Acta Cryst. (2011). E67, o1759  [ doi:10.1107/S1600536811023361 ]

Morpholin-4-ium 4-methoxybenzoate 4-methoxybenzoic acid monohydrate

L.-P. Feng and L. Zhao

Online 22 June 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.063
• wR factor = 0.162
• Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C8 H8 O3                                                         
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          5      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      

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

   1 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
   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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