Acta Cryst. (2008). E64, o2258  [ doi:10.1107/S1600536808034958 ]

(E)-4-[(4-Nitrophenyl)diazenyl]phenyl anthracene-9-carboxylate

M. A. Rodriguez, J. L. Nichol, T. Zifer, A. L. Vance, B. M. Wong and F. Léonard

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.043
• wR factor = 0.100
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N2     --  C4      ..      11.02 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N3     --  C7      ..      11.36 su   

Alert level C
            Value of measurement temperature given =   173.000
            Value of melting point given =     0.000
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     --  C8      ..       6.99 su   
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

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


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

 M.A. Rodriguez: crystallography
 Jessica L. Nichol: synthesis
 Thomas Zifer: principle investigator
 Andrew L. Vance: synthesis
 Bryan M. Wong: dipole modeling
 Fran\,cois 'L\'eonard: theoretical


   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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