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Acta Cryst. (2012). E68, o70  [ doi:10.1107/S1600536811052597 ]

2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone

B. Zhang, G. L. V. Damu, J.-S. Lv and C.-H. Zhou

Online 10 December 2011


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Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 24.99 From the CIF: _reflns_number_total 2324 Count of symmetry unique reflns 1387 Completeness (_total/calc) 167.56% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 937 Fraction of Friedel pairs measured 0.676 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 87 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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