Acta Cryst. (2004). E60, o595-o596  [ doi:10.1107/S1600536804006075 ]

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

S.-S. Zhang, X.-T. Meng, X.-M. Li and W. Wang

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.037
• wR factor = 0.102
• Data-to-parameter ratio = 10.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............      24.96 Deg.  

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       9.98       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  CG2     ..       2.91 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3       

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

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