(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4807-o4808 [ doi:10.1107/S1600536806039717 ]

Ethyl [(2,4-dinitrophenyl)hydrazono]acetate

Z.-G. Yin, Y.-J. Du, J.-S. Zhang, H.-Y. Qian and Q.-L. Wang

Online 4 October 2006

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R factor = 0.048
wR factor = 0.143
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         42 Perc.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C9     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N6     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2      
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      30.10 Deg. 
              C9   -O10  -C9A     1.555   1.555   1.555                        

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

   0 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
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check