(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o866-o867 [ doi:10.1107/S1600536805006276 ]

Bis[4-phenyl-5-(1H-1,2,4-triazol-3-yl)-4H-1,2,4-triazol-3-yl] disulfide

F.-Y. Pan, J.-G. Yang, D.-B. Chen and L. Huang

Online 11 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.041
wR factor = 0.085
Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N4     -   N5      ..       5.24 su    
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C5     -C10           1.37 Ang.  
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C7     -   H7     ...       0.82 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

   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
   0 ALERT type 4 Improvement, methodology, query or suggestion