[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1698
[ doi:10.1107/S1600536813028572 ]

Methyl 1-allyl-4-hy­droxy-2,2-dioxo-1H-2[lambda]6,1-benzo­thia­zine-3-carboxyl­ate

S. V. Shishkina, I. V. Ukrainets and L. A. Petrushova


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0106 Ang. PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 5 Check
Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... Please Do ! PLAT234_ALERT_4_C Large Hirshfeld Difference C12A -- C13A .. 0.18 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.098 Check PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 Why ? PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 Check
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT021_ALERT_4_G Ratio Unique / Expected Reflections too High ... 1.008 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 57 % PLAT931_ALERT_5_G Check Twin Law ( 1 0 0)[ ] Estimated BASF 0.48 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 2 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 6 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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