Acta Cryst. (2007). E63, o1478-o1479  [ doi:10.1107/S1600536807008513 ]

1-[3-(Trifluoromethyl)phenyl]-3-pivaloylthiourea

N. Shoukat, M. Khawar Rauf, M. Ebihara and A. Badshah

Online 28 February 2007

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.070
• wR factor = 0.151
• Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT220_ALERT_2_C Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       3.39 Ratio
PLAT301_ALERT_3_C Main Residue  Disorder .........................      12.00 Perc.

   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

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

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