(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o380 [ doi:10.1107/S1600536812000311 ]

2-[(E)-4-Diethylamino-2-hydroxybenzylidene]hydrazinecarboxamide

H.-K. Fun, C. W. Ooi, S. Malladi, A. M. Isloor and K. N. Shivananda

Online 14 January 2012

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
Disorder in main residue
R factor = 0.068
wR factor = 0.220
Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1A    -   H1O1   ...          ?      

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.965      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1B    --  C11B    ..        6.0 su   
PLAT234_ALERT_4_C Large Hirshfeld Difference N1A    --  C11A    ..       0.20 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference N1B    --  C9B     ..       0.17 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0064 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595        163      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT006_ALERT_5_G Note: Extinction Parameter Refined  =  0.0200             !     
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          8      
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.11      
PLAT242_ALERT_2_G Check Low       Ueq as Compared to Neighbors for       C11X     
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         14 Perc.
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         22      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          3      

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

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