Effect of the position of a methoxy substituent on the antimicrobial activity and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives
Żesławska, Ewa; Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Acta Crystallographica Section C 76 (2020) 359–366; doi:10.1107/S2053229620004040

data_2021998
_publ_section_title
;
 Effect of the position of a methoxy substituent on the antimicrobial
 activity and crystal structures of
 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives
;
_journal_coeditor_code           QS3091
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_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              359
_journal_page_last               366
_journal_paper_doi               10.1107/S2053229620004040
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C18 H16 N2 O Se'
_chemical_formula_moiety         'C18 H16 N2 O Se'
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_chemical_name_systematic
;
4-Methyl-1-(2-methoxyphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone
;
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_computing_cell_refinement
;
SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_data_collection
;
COLLECT (Bruker, 2004)
;
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;
DENZO and SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>,
2020)
;
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publCIF (Westrip, 2010)
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SHELXL2018 (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008)
;
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;
(DENZO-SMN; Otwinowski & Minor, 1997)
;
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;
SHELXL2018 (Sheldrick, 2015)
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0285P)^2^+2.5089P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.064
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_max   0.611
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