Acta Cryst. (2010). E66, o1011  [ doi:10.1107/S1600536810011578 ]

3,3'-(m-Phenylenedioxy)diphthalonitrile

W. Lv, K. Wang, D. Zhang, J. Jiang and X. Zhang

Online 2 April 2010

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.002 Å
• R factor = 0.039
• wR factor = 0.111
• Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     --  C4      ..       6.43 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     --  C3      ..       5.91 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C19    --  C22     ..       5.58 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C20    --  C21     ..       6.03 su   
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C4     ...       1.44 Ang. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C3     ...       1.43 Ang. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C19    -   C22    ...       1.44 Ang. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C20    -   C21    ...       1.43 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         92      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 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
   8 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster