<i>N</i>,<i>N</i>-Bis(4-nitrophenyl)acetamide
Nanaura, Kokichi; Okuno, Tsunehisa; Acta Crystallographica Section E 69 (2013) o457–; doi:10.1107/S1600536813005175

data_2237465
_publ_section_title
;
 <i>N</i>,<i>N</i>-Bis(4-nitrophenyl)acetamide
;
_journal_coeditor_code           FF2098
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o457
_journal_paper_doi               10.1107/S1600536813005175
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C14 H11 N3 O5'
_chemical_formula_moiety         'C14 H11 N3 O5'
_chemical_formula_sum            'C14 H11 N3 O5'
_chemical_formula_weight         301.26
_chemical_name_systematic
;
<i>N</i>,<i>N</i>-Bis(4-nitrophenyl)acetamide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                81.449(10)
_cell_angle_beta                 74.676(10)
_cell_angle_gamma                88.062(13)
_cell_formula_units_Z            2
_cell_length_a                   7.454(3)
_cell_length_b                   8.070(4)
_cell_length_c                   12.078(5)
_cell_measurement_reflns_used    1648
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      1.77
_cell_volume                     692.9(5)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'CrystalStructure (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXD (Schneider, <i>et al.</i>, 2002)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 28.445
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.0955
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_diffrn_reflns_theta_max         25.00
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_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.984
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(<i>NUMABS</i>; Rigaku, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
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_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
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_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0625P)^2^+0.2501P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1384
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