Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes
Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622000420

data_2022518
_publ_section_title
;
 Weak intermolecular interactions in a series of biologically active
 4'-methylthio-<i>trans</i>-stilbenes
;
_journal_coeditor_code           WP3023
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622000420
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C16 H16 O S'
_chemical_formula_moiety         'C16 H16 O S'
_chemical_formula_sum            'C16 H16 O S'
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_chemical_name_common
;
2-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene
;
_chemical_name_systematic
;
1-[(<i>E</i>)-2-(2-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene
;
_space_group_crystal_system      orthorhombic
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
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CrysAlis PRO (Rigaku OD, 2021)
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CrysAlis PRO (Rigaku OD, 2021)
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CrysAlis PRO (Rigaku OD, 2021)
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Mercury (Macrae <i>et al.</i>,  2020)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXT2014 (Sheldrick, 2015a)
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_diffrn_source                   'fine-focus sealed X-ray tube'
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(CrysAlis PRO; Rigaku OD, 2021)
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;
Flack <i>x</i> determined using 550 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   0.00(10)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0312P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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