Ru(II)-catalyzed intermolecular ortho-C-H amidation of aromatic ketones with sulfonyl azides
M. Bhanuchandra; M. Ramu Yadav; Raja K. Rit; Malleswara Rao Kuram; Akhila K. Sahoo; Chem.Commun. 49 (2013) 5225–; doi:10.1039/c3cc41915k

data_7109344
_publ_section_title
;
 Ru(II)-catalyzed intermolecular ortho-C-H amidation of aromatic ketones
 with sulfonyl azides
;
_journal_name_full               Chem.Commun.
_journal_page_first              5225
_journal_paper_doi               10.1039/c3cc41915k
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C14 H12 N2 O5 S'
_chemical_formula_weight         320.31
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.961(3)
_cell_angle_beta                 101.130(3)
_cell_angle_gamma                92.491(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7099(16)
_cell_length_b                   8.2501(17)
_cell_length_c                   11.659(2)
_cell_measurement_temperature    273(2)
_cell_volume                     714.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0230
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7246
_diffrn_reflns_theta_full        25.90
_diffrn_reflns_theta_max         25.90
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.253
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             332
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         2750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0642P)^2^+0.1514P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                2377
_reflns_number_total             2750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc41915k.txt
_cod_data_source_block           bhanu173
_cod_original_cell_volume        714.4(3)
_cod_database_code               7109344