[3 + 2] cycloaddition of nonstabilized azomethine ylides and 2-benzothiazolamines to access imidazolidine derivatives
Wang, Kai-Kai; Li, Yan-Li; Wang, Ming-Yue; Jing, Jun; Wang, Zhan-Yong; Chen, Rongxiang; RSC Advances 12 (2022) 28295–28298; doi:10.1039/D2RA04616D

data_7245607
_publ_section_title
;
 [3 + 2] cycloaddition of nonstabilized azomethine ylides and
 2-benzothiazolamines to access imidazolidine derivatives
;
_journal_issue                   44
_journal_name_full               'RSC Advances'
_journal_page_first              28295
_journal_page_last               28298
_journal_paper_doi               10.1039/D2RA04616D
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'C23 H20 Br N3 S'
_chemical_formula_weight         450.39
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-06-28 deposited with the CCDC.	2022-09-29 downloaded from the CCDC.
;
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_cell_angle_beta                 82.620(2)
_cell_angle_gamma                83.522(2)
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_cell_length_b                   11.4612(13)
_cell_length_c                   11.5392(13)
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_cell_volume                     1062.5(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0145
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.991
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_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    2.046
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_description       BLOCK
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_exptl_crystal_size_min          0.220
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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^)+(0.0448P)^2^+0.3115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2504
_reflns_number_total             3717
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ra04616d2.cif
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_shelx_estimated_absorpt_t_max   0.662
_shelx_res_checksum              5959