(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o654-o655 [ doi:10.1107/S1600536804006580 ]

3-(p-Chlorobenzyl)-4-(p-fluorobenzylideneamino)-4,5-dihydro-1H-1,2,4-triazol-5-one

T. Karakurt, M. Dinçer, B. Kahveci, A. Usta, E. Agar and S. Sasmaz

Online 27 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.050
wR factor = 0.075
Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         34 Perc. 

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.146
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.15       
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.80 mm    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    Cl1    -   C3      ..       5.80 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     -   C9      ..       5.15 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     -   C8      ..       5.05 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C4     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C3     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C11     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C16 H12 Cl F N4 O                                                 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  11 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
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion