2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate
Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C.; Acta Crystallographica Section C 51 (1995) 1709–1711; doi:10.1107/S0108270195001247

data_2003766
_publ_section_title
;
 2,3,5,6-Tetrachloro-4-hydroxyphenyl
 <i>N</i>-(4-Chlorophenyl)benzenecarboximidate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1709
_journal_page_last               1711
_journal_paper_doi               10.1107/S0108270195001247
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Recrystallized
_chemical_formula_sum            'C19 H10 Cl5 N O2'
_chemical_formula_weight         461.6
_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                 95.96(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.853(3)
_cell_length_b                   11.025(1)
_cell_length_c                   22.708(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     1955.4(9)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            3917
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.76
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   'empirical, based on \y scan'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.50
_refine_diff_density_min         0.10
_refine_ls_goodness_of_fit_obs   1.35
_refine_ls_hydrogen_treatment    'H atoms refined as fixed B~iso~'
_refine_ls_number_parameters     244
_refine_ls_number_reflns         2156
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          2156
_reflns_number_total             3633
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            cr1132.cif
_cod_data_source_block           cr1132a
_cod_original_cell_volume        1955.4(X)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C19 H10 Cl5 N1 O2'
_cod_database_code               2003766