<i>N</i>-(4,6-Diméthylpyrid-2-yl)-2-(3-nitrophényl)acétamide
Rodier, N.; Robert, J.-M.; Robert-Piessard, S.; Le Baut, G.; Acta Crystallographica Section C 49 (1993) 154–156; doi:10.1107/S010827019200859X

data_2002096
_publ_section_title
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 <i>N</i>-(4,6-Dim\'ethylpyrid-2-yl)-2-(3-nitroph\'enyl)ac\'etamide
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_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              154
_journal_page_last               156
_journal_paper_doi               10.1107/S010827019200859X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H15 N3 O3'
_chemical_formula_weight         285.3
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 102.52(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5940(10)
_cell_length_b                   19.173(2)
_cell_length_c                   9.340(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.83
_cell_measurement_theta_min      13.95
_cell_volume                     1502.4(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2016
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.705
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Incolore
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_description       Parall\'el\'epip\`ede
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.15(4)
_refine_diff_density_min         -0.15(4)
_refine_ls_extinction_coef       g=2.0(3)x10^-6^
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.55
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     236
_refine_ls_number_reflns         1325
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          1325
_reflns_number_total             2016
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            pa1009.cif
_cod_data_source_block           pa1009_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1502.4(9)
_cod_database_code               2002096