(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o176-o178 [ doi:10.1107/S1600536803029751 ]

4-(4-Methylphenylazo)-2-allylphenol monohydrate

N. Karadayi, G. Turgut, M. Odabasoglu and O. Büyükgüngör

Online 10 January 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.068
wR factor = 0.180
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.15
            Rint given   0.175
PLAT020_ALERT_3_B The value of Rint is greater than 0.10 .........       0.17       
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         31 Perc. 
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....        C16     
PLAT731_ALERT_1_B Bond    Calc    0.88(11), Rep     0.87(2) ......       5.50 su-Rat
              O2   -H1A     1.555   1.555                                       
PLAT735_ALERT_1_B D-H     Calc    0.88(11), Rep     0.87(2) ......       5.50 su-Rat
              O2   -H1A     1.555   1.555                                       

Alert level C
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C15A     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C15B     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion