Crystallographic, Topological, Antidiabetic, and Docking Evaluation of an Azo-Enamine Ligand and its Triphenyltin(IV) Coordination Polymer
Das, Anisha; Nama, Debabrata; Majumder, Chinmoy; Roy, Subhadip; Singh, S. Sureshkumar; Sandham, Alka; Pradeep Singh, Salam; Roy, Manojit; Misra, Tarun Kumar; New Journal of Chemistry  (2026) –; doi:10.1039/D5NJ03575A

data_7064341
_publ_section_title
;
 Crystallographic, topological, antidiabetic, and docking evaluation of an
 azo-enamine ligand and its triphenyltin(iv) coordination polymer
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7142
_journal_page_last               7151
_journal_paper_doi               10.1039/D5NJ03575A
_journal_volume                  50
_journal_year                    2026
_chemical_formula_sum            'C34 H29 N3 O4 Sn'
_chemical_formula_weight         662.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-08-31 deposited with the CCDC.	2026-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.5350(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5962(2)
_cell_length_b                   19.0791(3)
_cell_length_c                   13.6158(2)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      68.29
_cell_measurement_theta_min      2.32
_cell_volume                     3011.35(8)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture Diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            65108
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.351
_diffrn_reflns_theta_min         3.989
_diffrn_source                   'micro focus sealed tube'
_exptl_absorpt_coefficient_mu    7.095
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5378
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.302
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.086
_refine_diff_density_max         1.014
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         5522
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0236P)^2^+4.5633P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0748
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4971
_reflns_number_total             5522
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nj03575a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7064341--7064342.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7064341
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.223
_shelx_estimated_absorpt_t_max   0.581
_shelx_res_checksum              59654