An innovative Schiff-base colorimetric chemosensor for the selective detection of Cu2+ ions and its applications
Kumar, Ram; Singh, Bholey; Gahlyan, Parveen; Verma, Abhishek; Bhandari, Mamta; Kakkar, Rita; Pani, Balaram; RSC Advances 14 (2024) 23083–23094; doi:10.1039/D4RA03097D

data_7249083
_publ_section_title
;
 An innovative Schiff-base colorimetric chemosensor for the selective
 detection of Cu2+ ions and its applications
;
_journal_issue                   32
_journal_name_full               'RSC Advances'
_journal_page_first              23083
_journal_page_last               23094
_journal_paper_doi               10.1039/D4RA03097D
_journal_volume                  14
_journal_year                    2024
_chemical_formula_sum            'C2.14 H2.29 N0.29 O0.71'
_chemical_formula_weight         43.47
_chemical_melting_point          126
_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-2016/4
_audit_update_record
;
2023-09-21 deposited with the CCDC.	2024-07-12 downloaded from the CCDC.
;
_cell_angle_alpha                95.832(3)
_cell_angle_beta                 98.967(3)
_cell_angle_gamma                108.964(3)
_cell_formula_units_Z            14
_cell_length_a                   6.8450(7)
_cell_length_b                   7.2531(8)
_cell_length_c                   15.6037(17)
_cell_measurement_reflns_used    2706
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8734
_cell_measurement_theta_min      3.0431
_cell_volume                     714.00(13)
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0266
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16673
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.699
_diffrn_reflns_theta_min         1.339
_exptl_absorpt_coefficient_mu    0.108
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_description       needle
_exptl_crystal_F_000             320
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Methanol'
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         2676
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0746
_refine_ls_shift/su_max          0.067
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0470P)^2^+1.0922P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1625
_refine_ls_wR_factor_ref         0.1762
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2171
_reflns_number_total             2676
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ra03097d2.cif
_cod_data_source_block           shelx
_cod_database_code               7249083
_shelx_shelxl_version_number     2016/4
_shelx_res_checksum              11905