Aqueous mediated iodine catalyzed C-N coupling followed by C-C coupling towards 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles.
Bera, Debasish; Sarkar, Rajib; Saha, Pinaki; Ghosh, Prasanta; Mukhopadhyay, Chhanda; Chemical communications (Cambridge, England) 59 (2023) 7771–7774; doi:10.1039/d3cc01631e

data_7131679
_publ_section_title
;
 Aqueous mediated iodine catalyzed C-N coupling followed by C-C coupling
 towards 5<i>H</i>-pyrazino[2,3-<i>b</i>]indoles.
;
_journal_issue                   50
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              7771
_journal_page_last               7774
_journal_paper_doi               10.1039/d3cc01631e
_journal_volume                  59
_journal_year                    2023
_chemical_formula_moiety         'C22 H14 Cl N3'
_chemical_formula_sum            'C22 H14 Cl N3'
_chemical_formula_weight         355.81
_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
;
2023-03-04 deposited with the CCDC.	2023-05-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.121(2)
_cell_angle_gamma                90
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_cell_measurement_temperature    273(2)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      273(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_number            20048
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.062
_exptl_absorpt_coefficient_mu    0.225
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.400
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_refine_diff_density_rms         0.042
_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         3136
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.000
_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^+0.6677P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1607
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2226
_reflns_number_total             3136
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cc01631e2.cif
_cod_data_source_block           2696RKM_0m_a
_cod_depositor_comments
'Adding full bibliography for 7131679--7131680.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7131679
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              4666
_shelx_hkl_checksum              79774