Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.; Acta Crystallographica Section C 51 (1995) 1595–1602; doi:10.1107/S0108270194002945

data_2003836
_publ_section_title
;
 Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation
 d'Equilibres Tautom\`eres
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1595
_journal_page_last               1602
_journal_paper_doi               10.1107/S0108270194002945
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        synthesis
_chemical_formula_sum            'C13 H10 Cl N O2'
_chemical_formula_weight         247.5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           SHELX76
_cell_angle_alpha                90
_cell_angle_beta                 112.34(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.236(7)
_cell_length_b                   7.714(3)
_cell_length_c                   21.663(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      16.87
_cell_measurement_theta_min      6.64
_cell_volume                     1118.4(13)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            2625
_diffrn_reflns_theta_max         17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         '3 (1\=35, 12\=4, 01\=6)'
_exptl_absorpt_coefficient_mu    0.325
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_description       prisme
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.207
_refine_diff_density_min         -0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.34
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     154
_refine_ls_number_reflns         809
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         0.043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          809
_reflns_number_total             2434
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            pa1059.cif
_cod_data_source_block           pa1059c
_cod_original_cell_volume        1118.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C13 H10 Cl1 N1 O2'
_cod_database_code               2003836