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Acta Cryst. (2012). E68, o122  [ doi:10.1107/S1600536811052123 ]

(E)-1-{4-[Bis(4-bromophenyl)methyl]piperazin-1-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one

Y. Zhong, X. P. Zhang and B. Wu

Online 14 December 2011


Key indicators

checkCIF/PLATON results

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Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 43 Perc. PLAT048_ALERT_1_C MoietyFormula Not Given ........................ ? PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 -- C27 .. 5.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C14 -- C15 .. 5.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C21 -- C26 .. 7.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C22 -- C23 .. 7.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C24 -- C25 .. 6.0 su PLAT234_ALERT_4_C Large Hirshfeld Difference N2 -- C16 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C16 -- C17 .. 0.16 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C7 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C23 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C8 -C13 1.37 Ang. PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0091 Ang PLAT410_ALERT_2_C Short Intra H...H Contact H16B .. H19A .. 1.98 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 37 A   3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C8 -C13 0.17 Ang. PLAT431_ALERT_2_G Short Inter HL..A Contact Br2 .. Br2 .. 3.39 Ang. 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 25 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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 22 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 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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