Acta Cryst. (2011). E67, o2106  [ doi:10.1107/S1600536811027152 ]

Ethyl 2-amino-4-phenyl-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

A. Boughaleb, H. Zouihri, S. Gmouh, A. Kerbal and M. El yazidi

Online 23 July 2011

Key indicators

• Single-crystal X-ray study
• T = 296 K, P = 0.0 kPa
• Mean (C-C) = 0.002 Å
• R factor = 0.034
• wR factor = 0.086
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1A    ...          ?      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT793_ALERT_4_G The Model has Chirality at C10     (Verify) ....          S      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

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

   0 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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