Acta Cryst. (2010). E66, o3001  [ doi:10.1107/S1600536810043813 ]

2-(4-Ethoxycarbonyl-5-methyl-1H-1,2,3-triazol-1-yl)acetic acid monohydrate

G.-G. Wang and H. Zhao

Online 31 October 2010

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.004 Å
• R factor = 0.066
• wR factor = 0.189
• Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.34      
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C7     -   C8     ...       1.40 Ang. 
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          7      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

   0 ALERT level A = In general: serious problem
   0 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
   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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