A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.
Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe; Acta crystallographica. Section C, Structural chemistry 79 (2023) –; doi:10.1107/S2053229623007696

data_2312304
_publ_section_title
;
 A structural comparison of salt forms of dopamine with the structures of
 other phenylethylamines.
;
_journal_coeditor_code           OP3027
_journal_issue                   10
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_paper_doi               10.1107/S2053229623007696
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          'C8 H12 N1 O2 +, C6 H5 O4 S1 -, H2 O1'
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_chemical_formula_sum            'C14 H19 N O7 S'
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_chemical_name_common
;
Dopamine 4-hydroxybenzenesulfonate monohydrate
;
_chemical_name_systematic
;
2-(3,4-Dihydroxyphenyl)ethan-1-aminium 4-hydroxybenzenesulfonate monohydrate
;
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;
Crysalis PRO (Rigaku OD, 2019)
;
_computing_data_collection
;
Crysalis PRO (Rigaku OD, 2019)
;
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Crysalis PRO (Rigaku OD, 2019)
;
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Mercury (Macrae <i>et al.</i>,  2020)
;
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SHELXL in WinGX (Farrugia, 2012)
;
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SHELXL2018 (Sheldrick, 2015<i>b</i>)
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SHELXS (Sheldrick, 2015<i>a</i>)
;
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;
(CrysAlis PRO; Rigaku OD, 2019)
;
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'w=1/[\s^2^(Fo^2^)+(0.1070P)^2^+0.1388P] where P=(Fo^2^+2Fc^2^)/3'
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