Visible-light-mediated β,β-thio- and selenosulfonylation of <i>N</i>-ethyl tertiary amines.
Dalai, Pallaba Ganjan; Barik, Dinabandhu; Manna, Supriya; Lokesh, Allu; Patel, Bhisma K.; Chemical communications (Cambridge, England) 62 (2026) 4076–4079; doi:10.1039/d6cc00112b

data_7135376
_publ_section_title
;
 Visible-light-mediated &#x3b2;,&#x3b2;-thio- and selenosulfonylation of
 <i>N</i>-ethyl tertiary amines.
;
_journal_issue                   13
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4076
_journal_page_last               4079
_journal_paper_doi               10.1039/d6cc00112b
_journal_volume                  62
_journal_year                    2026
_chemical_formula_sum            'C19 H23 N O2 S2'
_chemical_formula_weight         361.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-11-11 deposited with the CCDC.	2026-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 131.034(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   34.921(3)
_cell_length_b                   5.8632(6)
_cell_length_c                   24.090(3)
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_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      3.09
_cell_volume                     3720.6(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measured_fraction_theta_max 0.998
_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
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.546
_exptl_absorpt_coefficient_mu    0.297
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6591
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
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_exptl_crystal_description       needle
_exptl_crystal_F_000             1536
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_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.553
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0691
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1955
_refine_ls_wR_factor_ref         0.2122
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2698
_reflns_number_total             3248
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6cc00112b2.cif
_cod_data_source_block           bbbbkkkkkppppp_0ma_a
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_res_checksum              39269
_shelx_hkl_checksum              48313