(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o90
[ doi:10.1107/S1600536812050246 ]

1-{(E)-[5-(2-Nitrophenyl)furan-2-yl]methylidene}-2,2-diphenylhydrazine

M. Flores-Alamo, B. M. Cabrera-Vivas, R. Meléndrez-Luevano, J. M. Hernández P. and L. Ruiz-Azuara

Key indicators

Single-crystal X-ray study
T = 130 K
Mean (C-C) = 0.002 Å
R factor = 0.037
wR factor = 0.097
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C10    --  C11     ..        5.6 su   
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  O2      ..       2.69 Ang. 
PLAT751_ALERT_4_C Bond    Calc     0.00000, Rep    0.000(3) ......  Senseless su   
              O1   -O1      1.555   1.555                    #         54      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.16 Ratio
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #         42     
              O1   -C14  -O1      1.555   1.555   1.555              0.00 Deg. 
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #         54     
              O1   -C17  -O1      1.555   1.555   1.555              0.00 Deg. 
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #         76     
              O2   -O2   -N3      1.555   1.555   1.555              0.00 Deg. 
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #         81     
              O2   -N3   -O2      1.555   1.555   1.555              0.00 Deg. 
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #         87     
              O1   -O1   -C14     1.555   1.555   1.555              0.00 Deg. 
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #         88     
              O1   -O1   -C17     1.555   1.555   1.555              0.00 Deg. 
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          84 Perc.

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   9 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check