(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o2684-o2685
[ doi:10.1107/S1600536812034812 ]

(E)-1-(2,4-Dinitrophenyl)-2-[1-(3-nitrophenyl)ethylidene]hydrazine

H.-K. Fun, S. Chantrapromma, B. Nilwanna, T. Kobkeatthawin and N. Boonnak

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R factor = 0.077
wR factor = 0.159
Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT213_ALERT_2_C Atom O3B             has ADP max/min Ratio .....        3.4 prola
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.1      
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.1      
PLAT414_ALERT_2_C Short Intra D-H..H-X       H1AA   ..  H14A    ..       1.97 Ang. 
PLAT414_ALERT_2_C Short Intra D-H..H-X       H1CA   ..  H14G    ..       1.95 Ang. 
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     20.866      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.281      

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 ............          3      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         15      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         18      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          6      

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

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