Competition between chalcogen and halogen bonding assessed through isostructural species
De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S205322962201052X

data_2022695
_publ_section_title
;
 Competition between chalcogen and halogen bonding assessed through
 isostructural species
;
_journal_coeditor_code           BS3004
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322962201052X
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C8 H4 I2 N2 S'
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2-Iodo-5-(4-iodophenyl)-1,3,4-thiadiazole
;
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OLEX2
(compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214)
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CrysAlis PRO (Rigaku OD, 2020)
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CrysAlis PRO (Rigaku OD, 2020)
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CrysAlis PRO (Rigaku OD, 2020)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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SHELXT2018 (Sheldrick, 2015<i>a</i>)
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'Rigaku XtaLAB Synergy Custom diffractometer with a HyPix-Arc 150\% detector'
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;
(CrysAlis PRO; Rigaku OD, 2020)
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'w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+4.6153P] where P=(Fo^2^+2Fc^2^)/3'
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