Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating Agent
Souron, J.-P.; Quarton, M.; Robert, F.; Lyubchova, A.; Cosse-Barbi, A.; Doucet, J. P.; Acta Crystallographica Section C 51 (1995) 2179–2182; doi:10.1107/S0108270195004586

data_2004055
_publ_section_title
;
 Pyridoxal Isonicotinoyl Hydrazone (PIH), a Synthetic Ion-Chelating
 Agent
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2179
_journal_page_last               2182
_journal_paper_doi               10.1107/S0108270195004586
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        synthesis
_chemical_formula_sum            'C14 H14 N4 O3'
_chemical_formula_weight         286.3
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 89.81(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.156(2)
_cell_length_b                   13.017(3)
_cell_length_c                   13.035(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      10
_cell_volume                     1383.9(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2705
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0934
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_meas      1.37(2)
_exptl_crystal_description       'elongated along [111]'
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.06
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.138
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     191
_refine_ls_number_reflns         882
_refine_ls_R_factor_obs          0.0389
_refine_ls_shift/esd_max         0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0383
_reflns_number_observed          882
_reflns_number_total             2409
_reflns_observed_criterion       'I >= 3\s(I)'
_cod_data_source_file            pa1163.cif
_cod_data_source_block           pa1163a
_cod_original_cell_volume        1383.9(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2004055