(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o163
[ doi:10.1107/S1600536812051410 ]

1-{(Z)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen-2(1H)-one

H. Kargili, A. Alaman Agar, G. Alpaslan, O. Büyükgüngör and A. Erdönmez

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.048
wR factor = 0.097
Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C18     
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     36.124      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      6.166      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.920      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          7      
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....          6      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         12 Perc.
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C1     -C10           1.42 Ang. 
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         72      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 ALERT level G = General information/check it is not something unexpected

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