[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2721-o2722
[ doi:10.1107/S1600536812035325 ]

2-[7-(3,5-Dibromo-2-hydroxyphenyl)-6-ethoxycarbonyl-2-oxo-5H-2,3,6,7-tetrahydrothiopyrano[2,3-d][1,3]thiazol-6-yl]acetic acid ethanol monosolvate

M. Kowiel, N. Zelisko, D. Atamanyuk, R. Lesyk and A. K. Gzella


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A DIFF019_ALERT_1_A _diffrn_standards_number is missing Number of standards used in measurement. DIFF020_ALERT_1_A _diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards.
Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.0 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.8 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O13 -- C12 .. 5.5 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT022_ALERT_3_G Ratio Unique / Expected Reflections (too) Low .. 0.891 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 668
2 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 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 4 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

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