Acta Cryst. (2004). E60, o199-o200  [ doi:10.1107/S1600536804000467 ]

O-(3,5-Dimethoxyphenyl) N,N-dimethylthiocarbamate

C. M. L. Vande Velde, H. J. Geise and F. Blockhuys

Online 17 January 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.034
• wR factor = 0.097
• Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged ....        H8A     
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged ....        H8B     
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged ....        H8C     
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged ....        H9A     
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged ....        H9B     
PLAT166_ALERT_4_C S.U's Given on Coordinates for calc-flagged ....        H9C     
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     -   C8       =       5.37 su    
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C4     -   H4       =       0.83 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   1 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion

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