[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2628
[ doi:10.1107/S1600536812033879 ]

An orthorhombic polymorph of 2-(1,3-benzothiazol-2-yl)-6-ethoxyphenol

H. Kargar, R. Kia, Z. Sharafi, H. J. Jahromi and M. N. Tahir


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.969 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0093 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.392 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 43
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 2239 Count of symmetry unique reflns 1408 Completeness (_total/calc) 159.02% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 831 Fraction of Friedel pairs measured 0.590 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 PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.15 PLAT981_ALERT_1_G No non-zero f" Anomalous Scattering Values Found ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 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 4 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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