Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.
Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.; Organic & biomolecular chemistry 18 (2020) 4104–4113; doi:10.1039/d0ob00054j

data_7157498
_publ_section_title
;
 Newly synthesized 3-sulfenylindole derivatives from
 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling
 reaction (OCDCR): potential lead molecules for antiproliferative
 activity.
;
_journal_issue                   21
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4104
_journal_page_last               4113
_journal_paper_doi               10.1039/d0ob00054j
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C17 H11 N O S2'
_chemical_formula_weight         309.39
_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-2014/7
_audit_update_record
;
2018-12-27 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.715(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_c                   13.9721(9)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.4870
_cell_measurement_theta_min      3.4530
_cell_volume                     2878.1(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         25.048
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_exptl_absorpt_coefficient_mu    0.366
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_refine_diff_density_rms         0.050
_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         2550
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_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0461
_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^)+(0.0847P)^2^+2.0019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1450
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_reflns_number_gt                2015
_reflns_number_total             2550
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00054j2.cif
_cod_data_source_block           exp_5347
_cod_depositor_comments
'Adding full bibliography for 7157497--7157498.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7157498
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              92233