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Acta Cryst. (2005). E61, o2716-o2717  [ doi:10.1107/S1600536805023548 ]

Ethyl 3-methyl-1-oxo-4H-1,4-benzothiazine-2-carboxylate

M. Akkurt, S. Türktekin, Y. Baryala, A. Zerzouf, M. Salem, E.-M. Essassi and O. Büyükgüngör

Online 27 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.79 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.14 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 - C6 .. 5.15 su
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 27.15 From the CIF: _reflns_number_total 2369 Count of symmetry unique reflns 1392 Completeness (_total/calc) 170.19% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 977 Fraction of Friedel pairs measured 0.702 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 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 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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