Acta Cryst. (2004). E60, o2127-o2129  [ doi:10.1107/S1600536804026443 ]

4-tert-Butyl-1-isopropyl-1H-imidazole-2(3H)-thione

I. Brito, A. Cárdenas, M. López-Rodríguez, C. Gutiérrez and A. Reyes

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.061
• wR factor = 0.197
• Data-to-parameter ratio = 23.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.10 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         C8     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C10 H18 N2 S                                                      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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