The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher homologues, and formamidinium salts in dimethyl sulfoxide.
Konstandaras, Nicholas; Dunn, Michelle H.; Luis, Ena T.; Cole, Marcus L.; Harper, Jason B.; Organic & biomolecular chemistry 18 (2020) 1910–1917; doi:10.1039/d0ob00036a

data_7157354
_publ_section_title
;
 The pK<sub>a</sub> values of N-aryl imidazolinium salts, their higher
 homologues, and formamidinium salts in dimethyl sulfoxide.
;
_journal_issue                   10
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1910
_journal_page_last               1917
_journal_paper_doi               10.1039/d0ob00036a
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         'C7.50 H8.50 I0.50 N'
_chemical_formula_sum            'C7.5 H8.5 I0.5 N'
_chemical_formula_weight         176.10
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_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2019-12-20 deposited with the CCDC.	2020-02-17 downloaded from the CCDC.
;
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_cell_measurement_temperature    151(2)
_cell_measurement_theta_max      30.524
_cell_measurement_theta_min      2.986
_cell_volume                     1437.07(11)
_computing_cell_refinement       'Bruker Apex II software'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
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_refine_ls_R_factor_gt           0.0186
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0213P)^2^+0.5006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0482
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_reflns_number_gt                1726
_reflns_number_total             2114
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00036a2.cif
_cod_data_source_block           22
_cod_depositor_comments
'Adding full bibliography for 7157354--7157355.cif.'
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_cod_database_code               7157354
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