Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts
Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.; Acta Crystallographica Section E 74 (2018) 1804–1807; doi:10.1107/S2056989018015827

data_2242743
_publ_section_title
;
 Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium
 hydrogen oxalate salts
;
_journal_coeditor_code           QM2130
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1804
_journal_page_last               1807
_journal_paper_doi               10.1107/S2056989018015827
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C7 H11 N2 +, C2 H O4 -, 0.22H2 O'
_chemical_formula_moiety         'C7 H11 N2 +, C2 H O4 -, 0.22(H2 O)'
_chemical_formula_sum            'C9 H12.44 N2 O4.22'
_chemical_formula_weight         216.21
_chemical_name_common
'4-dimethylaminopyridinium hydrogen oxalate 0.22 hydrate'
_chemical_name_systematic
;
4-(Dimethylamino)pyridinum hydrogen oxalate 0.22-hydrate,
;
_space_group_crystal_system      triclinic
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Olex2 1.2
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CrysAlis PRO (Rigaku OD, 2017)
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CrysAlis PRO (Rigaku OD, 2017)
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CrysAlis PRO (Rigaku OD, 2017)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL2017 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
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;
(CrysAlis PRO; Rigaku OD, 2017)
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_exptl_crystal_size_min          0.116
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_refine_diff_density_min         -0.605
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2017 (Sheldrick, 2015b)
;
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+0.4606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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