(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1443 [ doi:10.1107/S1600536811017910 ]

(E)-N'-(5-Bromo-2-methoxybenzylidene)isonicotinohydrazide

H.-Y. Ban

Online 20 May 2011

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.010 Å
R factor = 0.064
wR factor = 0.143
Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         34 Perc.
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.96      

Alert level C
PLAT234_ALERT_4_C Large Hirshfeld Difference N6     --  C27     ..       0.17 Ang. 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C19     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         10      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600        137      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        120      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          4      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

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

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