[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o16
[ doi:10.1107/S1600536812048829 ]

1-(2-Chlorobenzoyl)-3-(2-trifluoromethylphenyl)thiourea

M. K. Rauf, M. Ebihara and A. Badshah


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.977 PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C2 .. 5.7 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.644 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 53 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 21
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT434_ALERT_2_G Short Inter HL..HL Contact Cl1 .. Cl1 . 3.26 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 23
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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