A new and facile approach to 1,2-dihydroisoquinolin-3(4H)-imines by the Cu(i)-catalyzed reaction of 2-ethynylbenzyl methanesulfonates, sulfonyl azides and amines
Huang, Ying; Yi, Weiyin; Sun, Qihui; Zhang, Lirong; Yi, Fengping; RSC Advances 8 (2018) 74–; doi:10.1039/C7RA12412K

data_7229764
_publ_section_title
;
 A new and facile approach to 1,2-dihydroisoquinolin-3(4H)-imines by the
 Cu(i)-catalyzed reaction of 2-ethynylbenzyl methanesulfonates, sulfonyl
 azides and amines
;
_journal_issue                   1
_journal_name_full               'RSC Advances'
_journal_page_first              74
_journal_paper_doi               10.1039/C7RA12412K
_journal_volume                  8
_journal_year                    2018
_chemical_formula_moiety         'C22 H20 N2 O2 S'
_chemical_formula_sum            'C22 H20 N2 O2 S'
_chemical_formula_weight         376.46
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc1pvqmw
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-09-16 deposited with the CCDC.
2017-12-12 downloaded from the CCDC.
;
_cell_angle_alpha                87.7110(10)
_cell_angle_beta                 85.0380(10)
_cell_angle_gamma                61.8340(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7907(3)
_cell_length_b                   10.0612(3)
_cell_length_c                   10.7006(3)
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      4.15
_cell_volume                     925.77(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 VENTURE CMOS photon 100 '
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_unetI/netI     0.0134
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            18823
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.307
_diffrn_reflns_theta_min         4.147
_exptl_absorpt_coefficient_mu    1.710
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       block
_exptl_crystal_F_000             396
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.254
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3351
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0297
_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^)+(0.0473P)^2^+0.3638P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0832
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3206
_reflns_number_total             3351
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ra12412k2.cif
_cod_data_source_block           t_a
_cod_database_code               7229764
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.726
_shelx_estimated_absorpt_t_max   0.726
_shelx_res_checksum              19147