Acta Cryst. (2010). E66, o29-o30  [ doi:10.1107/S1600536809051368 ]

4-Amino-3-(1-naphthyloxymethyl)-1H-1,2,4-triazole-5(4H)-thione

H.-K. Fun, C. K. Quah, A. M. Vijesh, S. Malladi and A. M. Isloor

Online 4 December 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.045
• wR factor = 0.122
• Data-to-parameter ratio = 26.5

checkCIF/PLATON results

No syntax errors found




Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H2N4   ...          ?      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         38      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          3      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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