Synthesis and characterization of four organic–inorganic salts: sulfates of 2-aminopyridinium derivatives
Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam; Acta Crystallographica Section C 72 (2016) 882–889; doi:10.1107/S2053229616016004

data_2020646
_publ_section_title
;
 Synthesis and characterization of four organic--inorganic salts: sulfates
 of 2-aminopyridinium derivatives
;
_journal_coeditor_code           KU3189
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              882
_journal_page_last               889
_journal_paper_doi               10.1107/S2053229616016004
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '2C6 H9 N2 +, S O4 2-, H2 O'
_chemical_formula_moiety         '2(C6 H9 N2 +), O4 S 2-, H2 O'
_chemical_formula_sum            'C12 H20 N4 O5 S'
_chemical_formula_weight         332.38
_chemical_name_systematic
;
Bis(2-amino-3-methylpyridinium) sulfate monohydrate
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
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_computing_cell_refinement
;
CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
_computing_data_collection
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CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
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CrysAlis PRO (Rigaku Oxford Diffraction, 2015)
;
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DIAMOND (Brandenburg, 1997)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
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_diffrn_radiation_monochromator  graphite
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;
[CrysAlis PRO (Rigaku Oxford Diffraction, 2015), based on expressions
derived Clark & Reid (1995)]
;
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+0.3660P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 2020643--2020646.cif.'
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