Sustainable synthesis of bis(indolyl)methane scaffolds catalyzed by CuO nanoparticles immobilized with triethylammonium bistriflimide ionic liquid
Kumar, Parveen; Kumar, Gourav; Tomar, Vijesh; Nemiwal, Meena; New Journal of Chemistry 49 (2025) 18817–18829; doi:10.1039/D5NJ03257A

data_7064042
_publ_section_title
;
 Sustainable synthesis of bis(indolyl)methane scaffolds catalyzed by CuO
 nanoparticles immobilized with triethylammonium bistriflimide ionic
 liquid
;
_journal_issue                   43
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18817
_journal_page_last               18829
_journal_paper_doi               10.1039/D5NJ03257A
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C26 H23 N2 O'
_chemical_formula_sum            'C26 H23 N2 O'
_chemical_formula_weight         380.493
_chemical_name_systematic        C26H24N2O
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_audit_creation_date             2025-07-30
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7311)
;
_audit_update_record
;
2025-08-04 deposited with the CCDC.	2025-10-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.815(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.2372(3)
_cell_length_b                   16.2835(6)
_cell_length_c                   15.2267(6)
_cell_measurement_reflns_used    9374
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.59
_cell_measurement_theta_min      2.474
_cell_volume                     1983.28(13)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.9986
_diffrn_measured_fraction_theta_max 0.9986
_diffrn_measurement_device_type
'CrysAlisPro 1.171.42.63a (Rigaku Oxford Diffraction, 2022)'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.9986
_diffrn_reflns_Laue_measured_fraction_max 0.9986
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31913
_diffrn_reflns_point_group_measured_fraction_full 0.9986
_diffrn_reflns_point_group_measured_fraction_max 0.9986
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0783 before and 0.0481 after correction. The Ratio of minimum to maximum transmission is 0.8180. The \l/2 correction factor is Not present.'
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_description       block
_exptl_crystal_F_000             808.457
_exptl_crystal_preparation       MeOH
_exptl_crystal_recrystallization_method MeOH
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.7005
_refine_diff_density_min         -0.2710
_refine_diff_density_rms         0.0583
_refine_ls_d_res_high            0.7494
_refine_ls_d_res_low             8.1418
_refine_ls_goodness_of_fit_ref   1.0679
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    40
_refine_ls_number_parameters     265
_refine_ls_number_reflns         4918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0679
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          0.0011
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+1.1511P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1308
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                4084
_reflns_number_total             4918
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d5nj03257a2.cif
_cod_data_source_block           28maya_0m_a
_cod_depositor_comments          'Adding full bibliography for 7064042.cif.'
_cod_database_code               7064042
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C10(H10)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C18(H18), C13(H13), C25(H25), C22(H22), C3(H3), C24(H24),
 C16(H16), C5(H5), C15(H15), C14(H14), C4(H4)
2.c Idealised Me refined as rotating group:
 C26(H26a,H26b,H26c), C19(H19a,H19b,H19c), C9(H9a,H9b,H9c)
;
_olex2_submission_special_instructions 'No special instructions were received'