Acta Cryst. (2004). E60, o642-o644  [ doi:10.1107/S1600536804006828 ]

3-Benzyl-4-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione

S. Öztürk, M. Akkurt, A. Cansiz, M. Koparir, M. Sekerci and F. W. Heinemann

Online 27 March 2004

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.040
• wR factor = 0.073
• Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3B    ..  CG1     ..       2.99 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12    ..  CG1     ..       3.00 Ang.  

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

Copyright © International Union of Crystallography
IUCr Webmaster