Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.
Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh; RSC advances 14 (2024) 11604–11613; doi:10.1039/d4ra01501k

data_7248418
_publ_section_title
;
 Activity against <i>Mycobacterium tuberculosis</i> of a new class of
 spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.
;
_journal_issue                   17
_journal_name_full               'RSC advances'
_journal_page_first              11604
_journal_page_last               11613
_journal_paper_doi               10.1039/d4ra01501k
_journal_volume                  14
_journal_year                    2024
_chemical_formula_sum            'C32 H26 N2 O3'
_chemical_formula_weight         486.55
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc29cs6p
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-12-06 deposited with the CCDC.	2024-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                76.208(5)
_cell_angle_beta                 78.404(4)
_cell_angle_gamma                86.588(4)
_cell_formula_units_Z            2
_cell_length_a                   8.1861(11)
_cell_length_b                   11.0003(16)
_cell_length_c                   14.636(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1253.7(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_unetI/netI     0.0762
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            39117
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         2.540
_exptl_absorpt_coefficient_mu    0.083
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_F_000             512
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.171
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       0.0178(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4929
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1243
_refine_ls_R_factor_gt           0.0521
_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^)+(0.0480P)^2^+0.0425P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1183
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2714
_reflns_number_total             4929
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ra01501k2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        1253.8(3)
_cod_database_code               7248418
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              5924
_shelx_hkl_checksum              29013