Acta Cryst. (2011). E67, o163  [ doi:10.1107/S1600536810051858 ]

5-[(4-Methoxybenzyl)sulfanyl]-2-methyl-1,3,4-thiadiazole

H.-K. Fun, S. Chantrapromma, B. Chandrakantha, A. M. Isloor and P. Shetty

Online 18 December 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.004 Å
• R factor = 0.052
• wR factor = 0.118
• Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S2     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         16      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         10      

   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
   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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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