Acta Cryst. (2006). E62, o1520-o1521  [ doi:10.1107/S160053680600969X ]

5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione

L. E. da Silva, A. C. Joussef, C. R. Andrighetti-Fröhner, C. M. O. Simões and A. J. Bortoluzzi

Online 22 March 2006

Key indicators

• Single-crystal X-ray study
• T = 299 K
• Mean (C-C) = 0.004 Å
• R factor = 0.043
• wR factor = 0.116
• Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.12 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.54 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT322_ALERT_2_C Check Hybridisation of  S1     in Main Residue .          ?     

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

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