Acta Cryst. (2010). E66, o1472  [ doi:10.1107/S1600536810018015 ]

Methyl 3-(1H-indole-3-carboxamido)propionate hemihydrate

G. Huang, X. Y. Xu, X. C. Zeng, L. Zheng and K. P. Li

Online 26 May 2010

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• R factor = 0.042
• wR factor = 0.126
• Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          9      
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         28      

Alert level G
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      

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

   3 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
   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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