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_2022447
_publ_section_title
;
 The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines:
 oxidative bond formation and halogen bonding
;
_journal_coeditor_code           VP3021
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_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          '2C4 H7 N2 S +, 2I -, 3C2 I4'
_chemical_formula_moiety         '2(C4 H7 N2 S +), 2(I -), 3(C2 I4)'
_chemical_formula_sum            'C14 H14 I14 N4 S2'
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;
2-Amino-4-methyl-1,3-thiazol-3-ium iodide--1,1,2,2-tetraiodoethene (2/3)
;
_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
;
SAINT (Bruker, 2017)
;
_computing_data_collection
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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)
;
_exptl_crystal_colour            yellow
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0104P)^2^+2.8813P] where P=(Fo^2^+2Fc^2^)/3'
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