4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate
Moreno-Fuquen, Rodolfo; Hernández, Geraldine; Kennedy, Alan R.; Acta Crystallographica Section E 70 (2014) o17–; doi:10.1107/S1600536813032583

data_2239094
_publ_section_title
;
 4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate
;
_journal_coeditor_code           NG5349
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o17
_journal_paper_doi               10.1107/S1600536813032583
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C15 H10 N2 O7'
_chemical_formula_moiety         'C15 H10 N2 O7'
_chemical_formula_sum            'C15 H10 N2 O7'
_chemical_formula_weight         330.25
_chemical_melting_point          398.0(10)
_chemical_name_systematic
;
4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate
;
_space_group_IT_number           14
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 110.877(4)
_cell_angle_gamma                90.00
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_cell_measurement_temperature    123
_cell_measurement_theta_max      29.47
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_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection
;
CrysAlisPro (Oxford Diffraction, 2010)
;
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur E'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    0.132
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pale-yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0531
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+0.5883P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_sg_symbol_H-M      'P 21/c'
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_cod_database_fobs_code          2239094