Biological activity of non-radical vs. stable radical of a pyridazine-sulfonamide aminophenol-type compound
Chatterjee, Himadri Sekhar; Maity, Suvendu; Halder, Satyajit; Ghosh, Prasanta; Jana, Kuladip; Mahapatra, Pradip Kumar; Sinha, Chittaranjan; New Journal of Chemistry 46 (2022) 17951–17957; doi:10.1039/D2NJ03308A

data_7061762
_publ_section_title
;
 Biological activity of non-radical vs. stable radical of a
 pyridazine-sulfonamide aminophenol-type compound
;
_journal_issue                   37
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17951
_journal_page_last               17957
_journal_paper_doi               10.1039/D2NJ03308A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C25 H32 N4 O4 S'
_chemical_formula_sum            'C25 H32 N4 O4 S'
_chemical_formula_weight         484.60
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-12-23 deposited with the CCDC.	2022-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                68.822(2)
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_cell_length_c                   20.1462(15)
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_cell_measurement_theta_min      2.21
_cell_volume                     2617.8(4)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   Mo
_exptl_absorpt_coefficient_mu    0.160
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1082
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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^)+(0.0385P)^2^+2.6747P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
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_reflns_number_total             9201
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           PKM_200B9A_0m_a
_cod_depositor_comments          'Adding full bibliography for 7061762.cif.'
_cod_database_code               7061762
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