(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4814-o4815 [ doi:10.1107/S1600536806039687 ]

4,4,5,5-Tetramethyl-2-(2-thienyl)imidazolidine-1,3-diol

K. Jiang, X.-Q. Wang, L.-Y. Wang and Y.-F. Wang

Online 4 October 2006

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.006 Å
R factor = 0.079
wR factor = 0.222
Data-to-parameter ratio = 19.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C6     -   C8      ..      21.26 su   
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C7     -   C10     ..      13.37 su   

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.89 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.62 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N2     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6      
PLAT361_ALERT_2_C Long   C(sp3)-C(sp3) Bond  C6     -   C8     ...       1.66 Ang. 
PLAT361_ALERT_2_C Long   C(sp3)-C(sp3) Bond  C7     -   C10    ...       1.65 Ang. 

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   7 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
   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