Acta Cryst. (2004). E60, o1507-o1509  [ doi:10.1107/S1600536804019099 ]

5-Benzyl-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione

M. Akkurt, S. Öztürk, S. Servi, A. Cansiz, M. Sekerci and C. Kazak

Online 13 August 2004

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.039
• wR factor = 0.096
• Data-to-parameter ratio = 17.3

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.109
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.11       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4     ..  CG1     ..       2.95 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12    ..  CG1     ..       2.98 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14    ..  CG2     ..       2.99 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   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

Copyright © International Union of Crystallography
IUCr Webmaster