Ethyl 4-chloro-3-nitrobenzoate
Hao-Yuan Li; Bo-Nian Liu; Shi-Gui Tang; Ye-Ming Xu; Cheng Guo; Acta Crystallographica Section E 64 (2008) o523–o523; doi:10.1107/S1600536807068304

data_2217541
_publ_section_title
;
 Ethyl 4-chloro-3-nitrobenzoate
;
_journal_coeditor_code           HK2403
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o523
_journal_page_last               o523
_journal_paper_doi               10.1107/S1600536807068304
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C9 H8 Cl N O4'
_chemical_formula_moiety         'C9 H8 Cl N O4'
_chemical_formula_sum            'C9 H8 Cl N O4'
_chemical_formula_weight         229.61
_chemical_name_systematic
;
Ethyl 4-chloro-3-nitrobenzoate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.930(3)
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_cell_length_c                   20.945(4)
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_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      9
_cell_volume                     2024.9(7)
_computing_cell_refinement       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
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_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
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_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
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_exptl_absorpt_correction_T_min  0.8662
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_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0641
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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^)+(0.06P)^2^+1.5P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_fobs_code          2217541