Microwave-assisted chemoselective synthesis and photophysical properties of 2-arylazo-biphenyl-4-carboxamides from hydrazonals
Alazemi, Abdulrahman M.; Dawood, Kamal M.; Al-Matar, Hamad M.; Tohamy, Wael M.; RSC Advances 13 (2023) 25054–25068; doi:10.1039/D3RA04558G

data_7247238
_publ_section_title
;
 Microwave-assisted chemoselective synthesis and photophysical properties
 of 2-arylazo-biphenyl-4-carboxamides from hydrazonals
;
_journal_issue                   36
_journal_name_full               'RSC Advances'
_journal_page_first              25054
_journal_page_last               25068
_journal_paper_doi               10.1039/D3RA04558G
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C34 H34 Br N5 O2'
_chemical_formula_weight         624.57
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-06-15 deposited with the CCDC.	2023-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.333(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   8.4332(16)
_cell_length_c                   28.374(5)
_cell_measurement_reflns_used    5757
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      3.04
_cell_volume                     3009.2(11)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_unetI/netI     0.2595
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -6
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_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.036
_diffrn_reflns_theta_max         25.036
_diffrn_reflns_theta_min         3.040
_exptl_absorpt_coefficient_mu    1.406
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_description       Block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         5253
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_refine_ls_restrained_S_all      0.964
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_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^)+(0.0655P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1484
_refine_ls_wR_factor_ref         0.2055
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1676
_reflns_number_total             5253
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ra04558g2.cif
_cod_data_source_block           shelxl_CCDC1
_cod_original_cell_volume        3009.1(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7247238
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.766
_shelx_estimated_absorpt_t_max   0.946
_shelx_res_checksum              38733