Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity
Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Mohammad Ali Al-Aizari, Abdul Jaleel; Alaqeel, Shatha Ibrahim; Kansız, Sevgi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Dege, Necmi; RSC Advances 10 (2020) 23522–23531; doi:10.1039/D0RA02525A

data_7240760
_publ_section_title
;
 Regio- and diastereoselective synthesis of spiropyrroloquinoxaline
 grafted indole heterocyclic hybrids and evaluation of their
 anti-Mycobacterium tuberculosis activity
;
_journal_issue                   40
_journal_name_full               'RSC Advances'
_journal_page_first              23522
_journal_page_last               23531
_journal_paper_doi               10.1039/D0RA02525A
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C37 H33 N5 O4'
_chemical_formula_weight         611.68
_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_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-11-19 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                97.266(5)
_cell_angle_beta                 106.616(5)
_cell_angle_gamma                111.900(5)
_cell_formula_units_Z            2
_cell_length_a                   11.5002(7)
_cell_length_b                   11.7543(8)
_cell_length_c                   14.3642(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1666.0(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16765
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.047
_exptl_absorpt_coefficient_mu    0.081
_exptl_crystal_density_diffrn    1.219
_exptl_crystal_F_000             644
_refine_diff_density_max         0.380
_refine_diff_density_min         -0.152
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         6550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.1384
_refine_ls_R_factor_gt           0.0698
_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^)+(0.1156P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1805
_refine_ls_wR_factor_ref         0.2179
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3362
_reflns_number_total             6550
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra02525a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7240760.cif.'
_cod_original_cell_volume        1665.9(2)
_cod_database_code               7240760
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              95313