Acta Cryst. (2011). E67, o972-o973  [ doi:10.1107/S1600536811010294 ]

A triclinic polymorph with Z = 3 of N,N'-bis(2-pyridyl)oxamide

W.-J. Zhang, F. Wang, G.-L. Zhang and X. Xiao

Online 26 March 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.044
• wR factor = 0.125
• Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.69      
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.34      
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C6     -   C6_a   ...       1.53 Ang. 
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C12    -   C12_b  ...       1.54 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.596         63      

Alert level G
PLAT432_ALERT_2_G Short Inter X...Y Contact  O1     ..  C12     ..       2.94 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  N1     ..  C18     ..       2.97 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  N1     ..  C18     ..       3.00 Ang. 
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          70 Perc.

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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