Oxazoline-Promoted Rh-Catalyzed C-H Amidation of Benzene Derivatives with Sulfonamides and Trifluoroacetamide. A Comparative Study.
Maiden, Tracy M. M.; Swanson, Stephen; Procopiou, Panayiotis A.; Harrity, Joseph P. A.; The Journal of organic chemistry 81 (2016) 10641–10650; doi:10.1021/acs.joc.6b02481

data_4037463
_publ_section_title
;
 Oxazoline-Promoted Rh-Catalyzed C-H Amidation of Benzene Derivatives with
 Sulfonamides and Trifluoroacetamide. A Comparative Study.
;
_journal_issue                   22
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10641
_journal_page_last               10650
_journal_paper_doi               10.1021/acs.joc.6b02481
_journal_volume                  81
_journal_year                    2016
_chemical_formula_moiety         'C16 H15 F N2 O3 S'
_chemical_formula_sum            'C16 H15 F N2 O3 S'
_chemical_formula_weight         334.36
_space_group_crystal_system      monoclinic
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_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_alpha                90
_cell_angle_beta                 108.461(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   13.6398(6)
_cell_length_c                   9.0487(4)
_cell_measurement_reflns_used    9045
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      2.24
_cell_volume                     1505.28(11)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0210
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_max       11
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.532
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_exptl_absorpt_coefficient_mu    0.243
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
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_exptl_crystal_description       BLOCK
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_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0385
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0498P)^2^+1.3616P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           OHJ358P21C_a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4037463
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.903
_shelx_estimated_absorpt_t_max   0.913
_shelx_res_checksum              54910
_shelx_hkl_checksum              40032