A hydrazone-based fluorescent chemosensor for Al3+: turn-on response induced by ESIPT suppression
Bhat, Muzzaffar A.; Jan, Tabasum; Ashraf, Refat; Ali, Muneeba; Mushtaq, Asmat; Bhat, Sajad A.; Butcher, Ray J.; Din Reshi, Noor U.; New Journal of Chemistry 50 (2026) 2937–2947; doi:10.1039/D5NJ04748J

data_7064221
_publ_section_title
;
 A hydrazone-based fluorescent chemosensor for Al3+: turn-on response
 induced by ESIPT suppression
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2937
_journal_page_last               2947
_journal_paper_doi               10.1039/D5NJ04748J
_journal_volume                  50
_journal_year                    2026
_chemical_formula_moiety         'C16 H18 N2 O3'
_chemical_formula_sum            'C16 H18 N2 O3'
_chemical_formula_weight         286.32
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-30 deposited with the CCDC.	2026-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.112(2)
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_cell_length_b                   11.6665(3)
_cell_length_c                   10.1069(3)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.54
_cell_measurement_theta_min      2.41
_cell_volume                     1450.48(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0775
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.557
_diffrn_reflns_theta_min         2.406
_exptl_absorpt_coefficient_mu    0.092
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_exptl_absorpt_correction_T_min  0.4899
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_description       plate
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.31
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_exptl_crystal_size_min          0.08
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_refine_diff_density_min         -0.230
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     202
_refine_ls_number_reflns         4452
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0439
_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^)+(0.0532P)^2^+0.3804P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1211
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3505
_reflns_number_total             4452
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7064221
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              66228