(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o453 [ doi:10.1107/S1600536811001486 ]

2-{5,5-Dimethyl-3-[2-(pyridin-2-yl)ethenyl]cyclohex-2-enylidene}propanedinitrile

L. Chen

Online 22 January 2011

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.040
wR factor = 0.112
Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C16    --  C17     ..       7.97 su   

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16    --  C18     ..       5.26 su   
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         24      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          3      
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        CT1     

Alert level G
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C16    -   C17    ...       1.44 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C16    -   C18    ...       1.43 Ang. 
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   5 ALERT level G = General alerts; check

   4 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
   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