(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o2495-o2496
[ doi:10.1107/S1600536812032163 ]

2-Ethoxy-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile

S. K. Mohamed, M. Akkurt, A. A. Abdelhamid, K. Singh and M. A. A. El-Remaily

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
R factor = 0.061
wR factor = 0.157
Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         49 Perc.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     --  C18     ..        6.5 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C19A   --  C20A    ..        7.0 su   
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     17.726      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.608      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         27      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal ..........    0.00300 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C2     -   C18    ...       1.43 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C2A    -   C18A   ...       1.43 Ang. 
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         26      

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

   1 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
   5 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