Structure of <i>o</i>-(salicylideneamino)phenol hydrochloride
Ondráček, J.; Kovářová, Z.; Maixner, J.; Jursık, F.; Acta Crystallographica Section C 49 (1993) 1948–1949; doi:10.1107/S0108270193004081

data_2001223
_publ_section_title
;
 Structure of <i>o</i>-(salicylideneamino)phenol hydrochloride
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1948
_journal_page_last               1949
_journal_paper_doi               10.1107/S0108270193004081
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C13 H12 N1 O2,Cl1'
_chemical_formula_sum            'C13 H12 Cl N O2'
_chemical_formula_weight         249.70
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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           SHELX76
_cell_angle_alpha                90.
_cell_angle_beta                 94.05(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.4490(10)
_cell_length_b                   12.660(2)
_cell_length_c                   11.250(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      19
_cell_measurement_theta_min      18
_cell_volume                     1200.3(4)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3512
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        -0.7
_diffrn_standards_interval_time  180
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.30
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Olive green'
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.67
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     202
_refine_ls_number_reflns         1230
_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          1230
_reflns_number_total             1618
_reflns_observed_criterion       I>1.96\s(I)
_cod_data_source_file            li1045.cif
_cod_data_source_block           li1045_structure_1_of_1
_cod_depositor_comments
;
 Commenting out incorrect symmetry operators:

_cod_original_formula_sum        'C13 H12 Cl1 N1 O2'
_cod_database_code               2001223