Acta Cryst. (2005). E61, o2746-o2747  [ doi:10.1107/S1600536805023779 ]

2,3-Bis[(pyrimidin-2-ylsulfanyl)methyl]quinoxaline

Z.-C. Ma and H.-S. Xian

Online 30 July 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.001 Å
• R factor = 0.035
• wR factor = 0.096
• Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    S2     -   C15     ..      11.22 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N2     -   C4      ..       7.40 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N5     -   C15     ..       8.31 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N5     -   C18     ..       9.06 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C16    -   C17     ..       8.90 su    

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C9     -   C10     ..       5.09 su    
PLAT410_ALERT_2_C Short Intra H...H Contact  H5B    ..  H14B    ..       1.90 Ang.  

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

   3 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
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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