[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3472
[ doi:10.1107/S1600536812044297 ]

5-(Trifluoromethoxy)isatin

M. Schutte, C. Pretorius, H. G. Visser and A. Roodt


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C11 - C12 ... 1.56 Ang. PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C21 - C22 ... 1.55 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.831 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00500 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F1 .. F3 . 2.83 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 8 PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 9
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 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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