3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic acid
Feeder, N.; Jones, W.; Acta Crystallographica Section C 50 (1994) 813–816; doi:10.1107/S010827019301087X

data_2009700
_publ_section_title
;
 3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic
 acid
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              813
_journal_page_last               816
_journal_paper_doi               10.1107/S010827019301087X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C13 H16 N2 O5'
_chemical_formula_weight         280.13
_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                90.0
_cell_angle_beta                 90.34(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.768(2)
_cell_length_b                   13.885(4)
_cell_length_c                   17.136(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     1372.4(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4 four circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2605
_diffrn_reflns_theta_max         25
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.10
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'white, transparent'
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.262
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     188
_refine_ls_number_reflns         1104
_refine_ls_R_factor_obs          0.083
_refine_ls_shift/esd_max         0.084
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.083
_reflns_number_observed          1104
_reflns_number_total             2407
_reflns_observed_criterion       F>3\sF
_cod_data_source_file            hu1017.cif
_cod_data_source_block           hu1017_stucture_2_of_2
_cod_original_cell_volume        1372
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009700