(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3176
[ doi:10.1107/S1600536812043097 ]

(E)-N-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline

H. Kargili, M. Macit, G. Alpaslan, C. Kazak and A. Erdönmez

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.005 Å
R factor = 0.065
wR factor = 0.211
Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...        3.7 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H    Uiso(max)/Uiso(min) ..        4.4 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C12     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C12    -C17           1.37 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0050 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     25.994      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.640      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.195      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          3      
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.71 mm   
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.13      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         16      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
  10 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
   8 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check