Acta Cryst. (2008). E64, o1858-o1859  [ doi:10.1107/S160053680802727X ]

S-Benzylthiouronium 4-anilinobenzenesulfonate

H.-K. Fun, S. Chantrapromma, E. D. D'Silva, P. S. Patil and S. M. Dharmaprakash

Online 30 August 2008

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.043
• wR factor = 0.107
• Data-to-parameter ratio = 17.3

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
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.09      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........          5      

   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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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