4-Amino-3-chlorobenzophenone
Wenjie, L.; Genbo, S.; Yougping, H.; Acta Crystallographica Section C 50 (1994) 1638–1640; doi:10.1107/S0108270194000843

data_2010074
_publ_section_title
;
 4-Amino-3-chlorobenzophenone
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1638
_journal_page_last               1640
_journal_paper_doi               10.1107/S0108270194000843
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C13 H10 Cl N O'
_chemical_formula_weight         231.68
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           'IntTabIV Tables 2.2A, 2.3.1.'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   24.07(2)
_cell_length_b                   12.216(7)
_cell_length_c                   7.406(6)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      9
_cell_measurement_theta_min      6
_cell_volume                     2178(3)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  'no equivalent reflections'
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4268
_diffrn_reflns_theta_max         20
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.323
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6369
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_meas      1.41
_exptl_crystal_density_method    'flotation in?'
_exptl_crystal_description       needle
_exptl_crystal_size_max          1.2
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.288
_refine_ls_goodness_of_fit_obs   1.50
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     145
_refine_ls_number_reflns         673
_refine_ls_R_factor_obs          0.062
_refine_ls_shift/esd_max         0.0048
_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         0.072
_reflns_number_observed          673
_reflns_number_total             2243
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            ab1116.cif
_cod_data_source_block           ab1116_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 
;
_cod_original_cell_volume        2178(6)
_cod_original_formula_sum        'C13 H10 Cl1 N1 O1'
_cod_database_code               2010074