The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding
Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.; Acta Crystallographica Section C 77 (2021) –; doi:10.1107/S205322962100869X

data_2022441
_publ_section_title
;
 The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines:
 oxidative bond formation and halogen bonding
;
_journal_coeditor_code           VP3021
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S205322962100869X
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          'C6 F4 I2, C3 H8 N2 S, C H4 O'
_chemical_formula_moiety         'C6 F4 I2, C3 H8 N2 S, C H4 O'
_chemical_formula_sum            'C10 H12 F4 I2 N2 O S'
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_chemical_name_systematic
;
1,3-Dimethylthiourea--1,3-diiodo-2,4,5,6-tetrafluorobenzene--methanol (1/1/1)
;
_space_group_crystal_system      monoclinic
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Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
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_computing_cell_refinement
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SAINT (Bruker, 2017)
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APEX3 (Bruker, 2017)
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SAINT (Bruker, 2017)
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Mercury (Macrae <i>et al.</i>, 2020)
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publCIF (Westrip, 2010) and OLEX2 (Dolomanov <i>et al.</i>,
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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SHELXT2018 (Sheldrick, 2015<i>a</i>)
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(SADABS; Bruker, 2017)
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+9.4854P] where P=(Fo^2^+2Fc^2^)/3'
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