[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3067
[ doi:10.1107/S1600536812040883 ]

N-(4-chlorobenzoyl)-N-(2-chlorophenyl)-O-[2-(2-nitrophenyl)acetyl]hydroxylamine

J. Ma, Y. Ma and D. He


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.400 From the CIF: _refine_ls_abs_structure_Flack_su 0.070 PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero ..... 0.400 PLAT148_ALERT_3_C su on the a - Axis is (Too) Large ........ 0.014 Ang. PLAT148_ALERT_3_C su on the b - Axis is (Too) Large ........ 0.0080 Ang. PLAT148_ALERT_3_C su on the c - Axis is (Too) Large ........ 0.014 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0075 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 16
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 25.50 From the CIF: _reflns_number_total 3669 Count of symmetry unique reflns 2067 Completeness (_total/calc) 177.50% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1602 Fraction of Friedel pairs measured 0.775 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4 PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 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 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster