An unconventional photochemical amide synthesis from excited-state nitroarenes
Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng; Green Chemistry 27 (2025) 13427–13435; doi:10.1039/D5GC03649F

data_7250922
_publ_section_title
;
 An unconventional photochemical amide synthesis from excited-state
 nitroarenes
;
_journal_issue                   42
_journal_name_full               'Green Chemistry'
_journal_page_first              13427
_journal_page_last               13435
_journal_paper_doi               10.1039/D5GC03649F
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C10 H7 N O3'
_chemical_formula_sum            'C10 H7 N O3'
_chemical_formula_weight         189.17
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2025-04-22 deposited with the CCDC.	2025-09-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.35(6)
_cell_angle_gamma                90
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_cell_length_c                   11.109(10)
_cell_measurement_temperature    296(2)
_cell_volume                     919.5(13)
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.937
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0641
_diffrn_reflns_Laue_measured_fraction_full 0.968
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_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.009
_diffrn_reflns_theta_min         2.505
_exptl_absorpt_coefficient_mu    0.103
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_F_000             392
_refine_diff_density_max         1.133
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.168
_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         2084
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.690
_refine_ls_R_factor_all          0.1516
_refine_ls_R_factor_gt           0.0944
_refine_ls_shift/su_max          0.002
_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          0.2590
_refine_ls_wR_factor_ref         0.2929
_reflns_Friedel_coverage         0.000
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_reflns_number_total             2084
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5gc03649f2.cif
_cod_data_source_block           Y_a
_cod_depositor_comments
'Adding full bibliography for 7250918--7250924.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250922
_shelx_shelxl_version_number     2019/1
_shelx_res_checksum              39764