Synthesis and evaluation of the antiproliferative activity of new heterylmethylidene derivatives of imidazothiazolotriazinones
Izmest'ev, Alexei N.; Gazieva, Galina A.; Anikina, Lada V.; Pukhov, Sergey A.; Karnoukhova, Valentina A.; Kolotyrkina, Natalya G.; Kravchenko, Angelina N.; New Journal of Chemistry 45 (2021) 12271–12285; doi:10.1039/D1NJ02163J

data_7060772
_publ_section_title
;
 Synthesis and evaluation of the antiproliferative activity of new
 heterylmethylidene derivatives of imidazothiazolotriazinones
;
_journal_issue                   27
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              12271
_journal_page_last               12285
_journal_paper_doi               10.1039/D1NJ02163J
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C16 H18 N6 O2 S'
_chemical_formula_sum            'C16 H18 N6 O2 S'
_chemical_formula_weight         358.42
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-03-04 deposited with the CCDC.	2021-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_temperature    120(2)
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_diffrn_ambient_temperature      120(2)
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_diffrn_measurement_device_type  'Bruker APEX DUO diffractometer'
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_exptl_absorpt_process_details   SADABS
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_refine_ls_number_reflns         4882
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_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0444
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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^)+(0.0493P)^2^+0.5419P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0957
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4115
_reflns_number_total             4882
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            d1nj02163j2.cif
_cod_data_source_block           a
_cod_depositor_comments          'Adding full bibliography for 7060772.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7060772
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.943
_shelx_estimated_absorpt_t_max   0.958
_shelx_res_checksum              90426