Acta Cryst. (2004). E60, o756-o757  [ doi:10.1107/S1600536804008104 ]

Methyl 2-{[(2E)-3-phenylprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Vasu, K. A. Nirmala, D. Chopra, S. Mohan and J. Saravanan

Online 17 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.045
• wR factor = 0.126
• Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.92       
PLAT391_ALERT_3_C Deviating Methyl C10     H-C-H Bond Angle ......     101.00 Deg.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H19    ..  O3      ..       2.62 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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