(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2277-o2279 [ doi:10.1107/S1600536805019471 ]

N-{3-(4-Methylphenyl)-6-[(Z)-(4-methylphenyl)methylidene]-2-phenyl-2-azabicyclo[2.2.2]oct-5-ylidene}aniline

K. Ravikumar, B. Sridhar, M. Mahesh and V. V. N. Reddy

Online 30 June 2005

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.003 Å
R factor = 0.043
wR factor = 0.127
Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.75 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C11    -   C12     ..       5.03 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C28    -   C33     ..       5.32 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C18     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C21    -C26           1.37 Ang.  

   0 ALERT level A = In general: serious problem
   0 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
   5 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