<i>N</i>-(<i>p</i>-Tolyl)phthalimide
Bocelli, G.; Cantoni, A.; Cozzini, P.; Acta Crystallographica Section C 51 (1995) 2372–2374; doi:10.1107/S0108270195007177

data_2004148
_publ_section_title
;
 <i>N</i>-(<i>p</i>-Tolyl)phthalimide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2372
_journal_page_last               2374
_journal_paper_doi               10.1107/S0108270195007177
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C15 H11 N O2'
_chemical_formula_weight         237.25
_chemical_name_common            N-(p-tolyl)phthalimide
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.625(3)
_cell_length_b                   11.262(2)
_cell_length_c                   13.883(2)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      41.3
_cell_measurement_theta_min      11.9
_cell_volume                     1192.2(5)
_computing_cell_refinement       'Belletti, Cantoni & Pasquinelli (1992)'
_computing_data_collection       'Belletti, Cantoni & Pasquinelli (1992)'
_computing_data_reduction        'Belletti, Cantoni & Pasquinelli (1992)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens AED'
_diffrn_measurement_method       'Lehman & Larsen (1974)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0078
_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       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1350
_diffrn_reflns_theta_max         70.07
_diffrn_reflns_theta_min         5.06
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.717
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_description       prism
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.100
_refine_diff_density_min         -0.090
_refine_ls_abs_structure_details 'Flack (1983) parameter = -0.17(33)'
_refine_ls_abs_structure_Flack   -0.2(3)
_refine_ls_extinction_coef       0.025(2)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   1.027
_refine_ls_goodness_of_fit_obs   1.031
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         1182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_restrained_S_obs      1.031
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_obs          0.0304
_refine_ls_shift/esd_max         -0.544
_refine_ls_shift/esd_mean        0.045
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0562P)^2^ + 0.0750P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0806
_refine_ls_wR_factor_obs         0.0781
_reflns_number_observed          1129
_reflns_number_total             1185
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ka1133.cif
_cod_data_source_block           structure
_cod_database_code               2004148