Acta Cryst. (2006). E62, o5480-o5481  [ doi:10.1107/S1600536806045879 ]

1,2-Bis[4-(2-pyridyl)pyrimidin-2-ylsulfanyl]ethane

R. Li

Online 8 November 2006

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.005 Å
• R factor = 0.064
• wR factor = 0.205
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N1     -   C5      ..       7.53 su   
PLAT410_ALERT_2_B Short Intra H...H Contact  H4     ..  H7      ..       1.87 Ang. 
PLAT411_ALERT_2_B Short Inter H...H Contact  H1     ..  H4      ..       1.99 Ang. 

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     -   C1      ..       5.72 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C3     -   C4      ..       5.25 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C4     -   C5      ..       6.44 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N1     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5      

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

   1 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
   1 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

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