<i>p</i>-Phenylazoaniline hydrochloride from powder data: protonation site and UV‒visible spectra
Yatsenko, A. V.; Chernyshev, V. V.; Kurbakov, A. I.; Schenk, H.; Acta Crystallographica Section C 56 (2000) 892–894; doi:10.1107/S0108270100005357

data_2011084
_publ_section_title
;
 <i>p</i>-Phenylazoaniline hydrochloride from powder data: protonation
 site and UV--visible spectra
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              892
_journal_page_last               894
_journal_paper_doi               10.1107/S0108270100005357
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C12 H12 N3 1+, Cl 1-'
_chemical_formula_sum            'C12 H12 Cl N3'
_chemical_formula_weight         233.70
_chemical_name_systematic
;
4-Phenylazoaniline hydrochloride
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.91(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.400(3)
_cell_length_b                   18.511(5)
_cell_length_c                   8.920(3)
_cell_measurement_temperature    295(2)
_cell_volume                     1133.6(7)
_computing_cell_refinement       'LSPAID (Visser, 1986)'
_computing_data_collection       'home-written program'
_computing_molecular_graphics    'PLUTON (Spek, 1992)'
_computing_publication_material  'PARST (Nardelli, 1983)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type
;
DRON-3M (Burevestnik, Russia) horizontal diffractometer
;
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            465
_exptl_absorpt_coefficient_mu    2.768
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             488
_refine_diff_density_max         .8
_refine_diff_density_min         -1.2
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.75
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     109
_refine_ls_number_restraints     20
_refine_ls_shift/su_max          .06
_refine_ls_shift/su_mean         .03
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_reflns_number_total             465
_cod_data_source_file            br1286.cif
_cod_data_source_block           I
_cod_original_cell_volume        1133.7(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H12 Cl1 N3'
_cod_database_code               2011084