<i>N</i>-[2-(1-Hydrazonoethyl)-3-benzofuranyl]-<i>p</i>-toluenesulfonamide
Bachechi, F.; Coiro, V. M.; Delfini, M.; Acta Crystallographica Section C 52 (1996) 2915–2917; doi:10.1107/S0108270196006968

data_2005666
_publ_section_title
;
 <i>N</i>-[2-(1-Hydrazonoethyl)-3-benzofuranyl]-<i>p</i>-toluenesulfonamide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2915
_journal_page_last               2917
_journal_paper_doi               10.1107/S0108270196006968
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C17 H17 N3 O3 S1'
_chemical_formula_sum            'C17 H17 N3 O3 S'
_chemical_formula_weight         343.4
_chemical_name_systematic
;
N-[2-(\a-Hydrazonomethyl)-3-benzofuranyl]-p-toluene sulfonamide
;
_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_H-M   'P 1 21/n 1'
_atom_type_scat_source           'IntTabIV Tables 2.2A, 2.2C, 2.3.1'
_cell_angle_alpha                90.
_cell_angle_beta                 96.51(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.160(2)
_cell_length_b                   22.289(4)
_cell_length_c                   9.461(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18
_cell_measurement_theta_min      14
_cell_volume                     1709.7(6)
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1991)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Syntex P2~1~ four-circle'
_diffrn_measurement_method       'profile data from \w'
_diffrn_radiation_monochromator  'equatorial mounted graphite'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6681
_diffrn_reflns_theta_max         28.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.21
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'transparent colourless'
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.0785
_refine_ls_hydrogen_treatment
'H atoms refined as riding with the parent C atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         2289
_refine_ls_R_factor_obs          0.0525
_refine_ls_shift/esd_max         0.153
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w = 1/[\s^2^(F^2^)]'
_refine_ls_wR_factor_obs         0.0593
_reflns_number_observed          2289
_reflns_number_total             4543
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            na1246.cif
_cod_data_source_block           BACH
_cod_original_cell_volume        1709.6(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C17 H17 N3 O3 S1'
_cod_database_code               2005666