[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o30
[ doi:10.1107/S1600536812049446 ]

3-Chloro-2,4,5-trifluorobenzoic acid

J. Quan and H.-S. Sun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for F1 -- C1 .. 5.3 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C1 -C6 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0060 Ang PLAT431_ALERT_2_C Short Inter HL..A Contact F2 .. O1 . 2.81 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 52.300 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.705 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.334
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 ............ 1 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 10 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 3 ALERT type 5 Informative message, check

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