Co-operative halogen bonds and nonconventional <i>sp</i>-C—H···O hydrogen bonds in 1:1 cocrystals formed between diethynylpyridines and <i>N</i>-halosuccinimides
Bosch, Eric; Bowling, Nathan P.; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622006635

data_2022628
_publ_section_title
;
 Co-operative halogen bonds and nonconventional
 <i>sp</i>-C---H&#x00B7;&#x00B7;&#x00B7;O hydrogen bonds in 1:1 cocrystals
 formed between diethynylpyridines and <i>N</i>-halosuccinimides
;
_journal_coeditor_code           EF3030
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622006635
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C4 H4 Br N O2, C9 H5 N'
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_chemical_formula_sum            'C13 H9 Br N2 O2'
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;
3,5-Diethynylpyridine--<i>N</i>-bromosuccinimide (1/1)
;
_space_group_crystal_system      monoclinic
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;
SMART (Bruker, 2014)
;
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SMART (Bruker, 2014)
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SAINT (Bruker, 2014)
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X-SEED (Barbour, 2020)
;
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X-SEED (Barbour, 2020)
;
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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, 2014)
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0348P)^2^+0.3269P] where P=(Fo^2^+2Fc^2^)/3'
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