[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3360
[ doi:10.1107/S1600536812046375 ]

Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1[lambda]6,2,6-thiadiazin-4-yl)benzoate

N. Bhatt, P. Bhatt, K. Nimavat, T. Govender, H. G. Kruger and G. E. M. Maguire


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 86 Perc.
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 27.47 From the CIF: _reflns_number_total 6094 Count of symmetry unique reflns 3343 Completeness (_total/calc) 182.29% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2751 Fraction of Friedel pairs measured 0.823 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C1B PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 18 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: There are four student supervisors.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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