Acta Cryst. (2011). E67, o1794  [ doi:10.1107/S1600536811023750 ]

3-(4-Amino-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3-(2-chlorophenyl)-1-phenylpropan-1-one

Y. Gao, L. Zhang and H. Wang

Online 25 June 2011

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.002 Å
• R factor = 0.032
• wR factor = 0.079
• Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S1     --  C1      ..        5.3 su   
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         22      

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   1 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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