Clarifying the structures of imidines: using crystallographic characterization to identify tautomers and localized systems of π-bonding.
Aristov, Michael M.; Geng, Han; Harris, James W.; Berry, John F.; Acta crystallographica. Section C, Structural chemistry 79 (2023) 133–141; doi:10.1107/S2053229623002036

data_2022700
_publ_section_title
;
 Clarifying the structures of imidines: using crystallographic
 characterization to identify tautomers and localized systems of
 &#x3c0;-bonding.
;
_journal_coeditor_code           EP3031
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              133
_journal_page_last               141
_journal_paper_doi               10.1107/S2053229623002036
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          'C4 H8 N3 +, Cl -, C4 H7 N3, H2 O'
_chemical_formula_moiety         'C4 H8 N3 +, Cl -, C4 H7 N3, H2 O'
_chemical_formula_sum            'C8 H17 Cl N6 O'
_chemical_formula_weight         248.72
_chemical_name_systematic
;
5-Amino-3,4-dihydro-2<i>H</i>-pyrrol-2-iminium chloride;
2-imino-3,4-dihydro-2<i>H</i>-pyrrol-5-amine monohydrate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
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Olex2 1.5
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;
SAINT-Plus (Bruker, 2016)
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APEX3 (Bruker, 2016)
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SAINT-Plus (Bruker, 2016)
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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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SHELXT2014 (Sheldrick, 2015<i>a</i>)
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;
(SADABS; Bruker, 2016)
;
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