(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5432-o5433 [ doi:10.1107/S1600536806046113 ]

(E)-N'-[3-Ethoxy-4-(4-nitrobenzyloxy)benzylidene]isonicotinohydrazide

Q.-Z. Zhang, Y.-L. Zhao, X. Chen and M. Yu

Online 8 November 2006

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.057
wR factor = 0.161
Data-to-parameter ratio = 11.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for       C15'     

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C14     
PLAT245_ALERT_2_C U(iso) H14B    Smaller than U(eq) C15'    by ...       0.04 AngSq
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc.
PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........        O4'     
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C9     -   C10    ...       1.37 Ang. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      30.87 Deg. 
              O4   -C9   -O4'     1.555   1.555   1.555                        

   0 ALERT level A = In general: serious problem
   1 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
   6 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check