(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1865-o1867 [ doi:10.1107/S1600536804023207 ]

1-(2,6-Difluorobenzoyl)-3-[4-(trifluoromethyl)phenyl]urea

L. Chen, H.-B. Song, Q.-M. Wang, R.-Q. Huang, J. Shang and C.-H. Mao

Online 30 September 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.054
wR factor = 0.144
Data-to-parameter ratio = 10.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors  for        C15     

Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.68       
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6       
PLAT431_ALERT_2_C Short Inter HL..A Contact  F2     ..  O2      ..       2.95 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C2     ..  F5'     ..       2.96 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      34.30 Deg.  
              F5   -C15  -F5'     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.60 Deg.  
              F4   -C15  -F4'     1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   7 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion