Acta Cryst. (2009). E65, o2310  [ doi:10.1107/S1600536809033923 ]

1-Benzyl-3,5-bis(2-thienylmethylene)-4-piperidone

J. Sun and H. Li

Online 5 September 2009

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.002 Å
• Disorder in main residue
• R factor = 0.039
• wR factor = 0.100
• Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C5     -   C6     ...       1.35 Ang. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C8     -   C11    ...       1.35 Ang. 

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................      28.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         58      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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