Structure of 2'-(<i>N</i>-isopropyloxamoyl)acetanilide, C~13~H~16~N~2~O~3~
Zukerman-Schpector, J.; Pinto, A.Da C.; Silva, J.F.M.Da; Silva, R.B.Da; Acta Crystallographica Section C 50 (1994) 87–88; doi:10.1107/S0108270193004834

data_2009392
_publ_section_title
;
 Structure of 2'-(<i>N</i>-isopropyloxamoyl)acetanilide,
 C~13~H~16~N~2~O~3~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              87
_journal_page_last               88
_journal_paper_doi               10.1107/S0108270193004834
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C13 H16 N2 O3'
_chemical_formula_weight         248.28
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90.
_cell_angle_beta                 107.520(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.892(2)
_cell_length_b                   9.8460(10)
_cell_length_c                   14.169(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    292
_cell_measurement_theta_max      18
_cell_measurement_theta_min      9
_cell_volume                     1316.0(4)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2075
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        +-1.0
_diffrn_standards_interval_time  30
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.84
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_description       Irregular
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.69
_refine_ls_hydrogen_treatment    'one overall U~iso~'
_refine_ls_number_parameters     164
_refine_ls_number_reflns         1361
_refine_ls_R_factor_obs          0.053
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(|F~o~| + 0.0006|F~o~|^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.059
_reflns_number_observed          1361
_reflns_number_total             1993
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            li1048.cif
_cod_data_source_block           li1048_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = [\s^2^(|F~o~| +
0.0006|F~o~|^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(|F~o~| + 0.0006|F~o~|^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1315.9(7)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2009392