Acta Cryst. (2011). E67, o1459  [ doi:10.1107/S1600536811018241 ]

Imazalil: 1-[2-(2,4-dichlorophenyl)-2-(prop-2-enyloxy)ethyl]-1H-imidazole

S. Cheon, Y. W. Shin, K.-M. Park, J. Kim and T. H. Kim

Online 20 May 2011

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.003 Å
• R factor = 0.046
• wR factor = 0.119
• Data-to-parameter ratio = 17.7

checkCIF/PLATON results

No syntax errors found




Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4     ..  N2      ..       2.66 Ang. 
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          8      

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          S      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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