Acta Cryst. (2012). E68, o82  [ doi:10.1107/S160053681105166X ]

(Z)-1,1-Dicyano-2-(4-fluorophenyl)-3-(1-hexylpyridin-1-ium-4-yl)prop-2-en-1-ide

W.-H. Hao, C. Wang, G. Qian and Z.-Y. Wang

Online 10 December 2011

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.002 Å
• R factor = 0.043
• wR factor = 0.080
• Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C8     --  C10     ..        9.7 su   

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     --  C9      ..        5.6 su   
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595          4      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C8     -   C9     ...       1.41 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C8     -   C10    ...       1.42 Ang. 
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   2 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
   4 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
   2 ALERT type 5 Informative message, check

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