Acta Cryst. (2012). E68, o838  [ doi:10.1107/S1600536812004229 ]

1,5-Diamino-2,6-dibromo-9,10-anthraquinone

N. Seidel, W. Seichter and E. Weber

Online 24 February 2012

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.002 Å
• R factor = 0.026
• wR factor = 0.071
• Data-to-parameter ratio = 22.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          2      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00200 Deg. 
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C4     -C5_a          1.46 Ang. 
PLAT431_ALERT_2_G Short Inter HL..A Contact  Br1    ..  Br1     ..       3.57 Ang. 

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 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

   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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