[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o556
[ doi:10.1107/S1600536813006995 ]

3,3-Bis(4-bromophenylsulfanyl)-1-methylpiperidin-2-one

J. Zukerman-Schpector, P. R. Olivato, C. R. Cerqueira Jr, B. Contieri, S. W. Ng and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 30 PLAT982_ALERT_1_G The C-f'= 0.003 Deviates from the IT-value 0.018 PLAT982_ALERT_1_G The N-f'= 0.006 Deviates from the IT-value 0.031 PLAT982_ALERT_1_G The O-f'= 0.011 Deviates from the IT-value 0.049 PLAT982_ALERT_1_G The S-f'= 0.125 Deviates from the IT-value 0.333 PLAT983_ALERT_1_G The S-f"= 0.123 Deviates from the IT-Value 0.557
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 5 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 0 ALERT type 3 Indicator that the structure quality may be low 2 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: The contribution of the authors to this submission is as follows: Zukerman-Schpector - co-responsible for final crystallography and write-up Ng - responsible for the data collection and preliminary cryst. anal. Olivato - co-supervisor of students Cerqueira - responsible for the synthesis and crystallization Contieri - responsible for the synthesis and crystallization Ng - responsible for the data collection and preliminary cryst. anal. Tiekink - co-responsible for final crystallography and write-up

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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