Trimellitimide (C~9~H~5~NO~4~) and <i>N</i>-ethyltrimellitimide (C~11~H~9~NO~4~)
Feeder, N.; Jones, W.; Acta Crystallographica Section C 50 (1994) 824–827; doi:10.1107/S0108270193010893

data_2009705
_publ_section_title
;
 Trimellitimide (C~9~H~5~NO~4~) and <i>N</i>-ethyltrimellitimide
 (C~11~H~9~NO~4~)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              824
_journal_page_last               827
_journal_paper_doi               10.1107/S0108270193010893
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H9 N1 O4'
_chemical_formula_sum            'C11 H9 N O4'
_chemical_formula_weight         219.20
_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           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 95.59(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.0780(10)
_cell_length_b                   37.909(7)
_cell_length_c                   5.1840(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      8
_cell_volume                     993.2(3)
_diffrn_measurement_device       'Enraf-Nonius CAD4 four circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.2152
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       53
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3234
_diffrn_reflns_theta_max         30
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.11
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'White, transparent'
_exptl_crystal_density_diffrn    1.46
_exptl_crystal_description       Plate-like
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.60
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.19
_refine_ls_number_parameters     152
_refine_ls_number_reflns         1102
_refine_ls_R_factor_obs          0.099
_refine_ls_shift/esd_max         0.256
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.099
_reflns_number_observed          1102
_reflns_number_total             2890
_reflns_observed_criterion       'F >6\sF'
_cod_data_source_file            hu1019.cif
_cod_data_source_block           hu1019_structure_2_of_2
_cod_original_cell_volume        993
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C11 H9 N1 O4'
_cod_database_code               2009705