2-(4-Chlorophenylazo)-2-methyl-1,3-indandione
Özbey, S.; Kendi, E.; Hocaoğlu, N.; Uyar, T.; Mak, T. C. W.; Acta Crystallographica Section C 49 (1993) 2165–2167; doi:10.1107/S0108270193005682

data_2001186
_publ_section_title
;
 2-(4-Chlorophenylazo)-2-methyl-1,3-indandione
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2165
_journal_page_last               2167
_journal_paper_doi               10.1107/S0108270193005682
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C16 H11 Cl1 N2 O2'
_chemical_formula_sum            'C16 H11 Cl N2 O2'
_chemical_formula_weight         298.728
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 101.06
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.424(2)
_cell_length_b                   14.402(2)
_cell_length_c                   8.0900(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      6
_cell_volume                     1420.7(3)
_computing_cell_refinement       'Nicolet R3m/V software'
_computing_data_collection       'Nicolet R3m/V software'
_computing_data_reduction        'Nicolet R3m/V software'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1987)'
_computing_publication_material  'PARST88 (Nardelli, 1983)'
_computing_structure_refinement  'SHELX76 (Sheldrick, 1976)'
_computing_structure_solution
' SHELXS86 (Sheldrick, 1990) and SIR88 (Burla et al., 1989)'
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_time  125
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.27
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.095
_refine_diff_density_min         -0.097
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     224
_refine_ls_number_reflns         1259
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.027
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          1345
_reflns_number_total             1439
_reflns_observed_criterion       F~o~>4\s(F~o~)
_cod_data_source_file            ab1072.cif
_cod_data_source_block           ab1072_structure_1_of_1
_cod_original_cell_volume        1420.7(4)
_cod_original_formula_sum        'C16 H11 Cl1 N2 O2'
_cod_database_code               2001186