Acta Cryst. (2008). E64, o1577  [ doi:10.1107/S1600536808022502 ]

3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

H.-T. Du, H.-J. Du and W. Zhou

Online 23 July 2008

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.003 Å
• R factor = 0.044
• wR factor = 0.138
• Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.93 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.35 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5     --  C20     ..       5.71 su   
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C19    ..  CG3     ..       4.06 Ang. 

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

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

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