Acta Cryst. (2010). E66, o1482-o1483  [ doi:10.1107/S1600536810019458 ]

5-Pentyl-4-phenylsulfonyl-1H-pyrazol-3-ol

T. Shahani, H.-K. Fun, R. V. Ragavan, V. Vijayakumar and S. Sarveswari

Online 29 May 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.001 Å
• R factor = 0.037
• wR factor = 0.122
• Data-to-parameter ratio = 30.9

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
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         20      
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)         30 Ang. 
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........         IS     
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         16      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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