Acta Cryst. (2012). E68, o27  [ doi:10.1107/S1600536811051580 ]

2-({[4-(1,3-Benzothiazol-2-yl)phenyl]amino}methyl)phenol

K. Potgieter, T. Gerber, E. Hosten and R. Betz

Online 3 December 2011

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean (C-C) = 0.002 Å
• R factor = 0.033
• wR factor = 0.092
• Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H72    ...          ?      

PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........    <I>C</I     

PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         16      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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