(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o2678
[ doi:10.1107/S1600536812034617 ]

2-(4-Bromophenyl)-N-(2,6-dimethylphenyl)acetamide

H.-K. Fun, C. K. Quah, P. S. Nayak, B. Narayana and B. K. Sarojini

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
R factor = 0.052
wR factor = 0.143
Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3     
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C1     -C6            1.37 Ang. 
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0061 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.926      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         18      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          4      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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