3-(Benzo[d]thiazol-2-yl)-4-aminoquinoline derivatives as novel scaffold topoisomerase I inhibitor via DNA intercalation: design, synthesis, and antitumor activities
Yuan, Jing-Mei; Chen, Nan-Ying; Liao, Hao-Ran; Zhang, Guo-Hai; Li, Xiao-Juan; Gu, Zi-Yu; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa; New Journal of Chemistry 44 (2020) 11203–11214; doi:10.1039/C9NJ05846J

data_7059677
_publ_section_title
;
 3-(Benzo[d]thiazol-2-yl)-4-aminoquinoline derivatives as novel scaffold
 topoisomerase I inhibitor via DNA intercalation: design, synthesis, and
 antitumor activities
;
_journal_issue                   26
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11203
_journal_page_last               11214
_journal_paper_doi               10.1039/C9NJ05846J
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C20 H19 Cl N4 S'
_chemical_formula_weight         382.90
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-09-04 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_b                   8.597(3)
_cell_length_c                   16.140(5)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.49
_cell_measurement_theta_min      2.23
_cell_volume                     1854.8(11)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_theta_max         26.522
_diffrn_reflns_theta_min         1.743
_exptl_absorpt_coefficient_mu    0.330
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
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_refine_diff_density_min         -1.309
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_refine_ls_extinction_method     none
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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^)+(0.1588P)^2^+3.9202P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2577
_refine_ls_wR_factor_ref         0.2914
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2593
_reflns_number_total             3834
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj05846j2.cif
_cod_data_source_block           LHR086
_cod_depositor_comments
;Adding full bibliography for 7059677.cif.

 Adding full bibliography for 7059677.cif.
;
_cod_original_cell_volume        1854.7(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7059677
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.868
_shelx_estimated_absorpt_t_max   0.952
_shelx_res_checksum              43405