[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o550
[ doi:10.1107/S1600536814007867 ]

(Z)-N-[1-(Aziridin-1-yl)-2,2,2-tri­fluoro­ethyl­idene]-4-bromo­aniline

A. S. Bunev, M. A. Vasiliev, G. I. Ostapenko, A. S. Peregudov and V. N. Khrustalev


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.29 Why ? PLAT971_ALERT_2_C Check Calcd Residual Density 0.81A From Br1 1.92 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.80A From Br1 1.88 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.79A From Br2 1.78 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.84A From Br2 1.76 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.93A From Br1 1.60 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.86A From Br2 1.53 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT033_ALERT_4_G Flack x Value Deviates > 2*sigma from Zero ..... 0.025 PLAT242_ALERT_2_G Low Ueq as Compared to Neighbors for ..... C2 Check PLAT242_ALERT_2_G Low Ueq as Compared to Neighbors for ..... C12 Check PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 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 9 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 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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