2-(2-Chlorophenoxy)benzoic acid
Shi, Lu; Zhang, Qin; Xiao, Qi; Wu, Tao; Zhu, Hong-Jun; Acta Crystallographica Section E 67 (2011) o748–; doi:10.1107/S1600536811006301

data_2229580
_publ_section_title
;
 2-(2-Chlorophenoxy)benzoic acid
;
_journal_coeditor_code           BQ2280
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o748
_journal_paper_doi               10.1107/S1600536811006301
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C13 H9 Cl O3'
_chemical_formula_moiety         'C13 H9 Cl O3'
_chemical_formula_sum            'C13 H9 Cl O3'
_chemical_formula_weight         248.65
_chemical_name_systematic
;
2-(2-Chlorophenoxy)benzoic acid
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_alpha                90.00
_cell_angle_beta                 115.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      9
_cell_volume                     1182.1(5)
_computing_cell_refinement       'CAD-4 Software (Enraf--Nonius, 1985)'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1985)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
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_diffrn_reflns_theta_max         25.38
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_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  2
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_exptl_absorpt_correction_T_min  0.9115
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_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
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_refine_ls_R_factor_all          0.1273
_refine_ls_R_factor_gt           0.0530
_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^)+(0.0350P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block           I
_cod_original_cell_volume        1182.1(4)
_cod_original_sg_symbol_H-M      'P 21/c'
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