[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2610
[ doi:10.1107/S1600536812033752 ]

Bis(2-hydroxyethyl)ammonium 2-bromophenolate

K. Padayachy, M. A. Fernandes, H. M. Marques, A. Lemmerer and A. S. de Sousa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.8 Ratio PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O1
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 27.99 From the CIF: _reflns_number_total 2784 Count of symmetry unique reflns 1492 Completeness (_total/calc) 186.60% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1292 Fraction of Friedel pairs measured 0.866 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 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 2 ALERT type 5 Informative message, check

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