2-Chloro-7-methyl-12-phenyldibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-11(6<i>H</i>)-one
Vennila, K. N.; Prabha, K.; Manoj, M.; Prasad, K. J. Rajendra; Velmurugan, D.; Acta Crystallographica Section E 66 (2010) o1823–; doi:10.1107/S160053681002430X

data_2226692
_publ_section_title
;
 2-Chloro-7-methyl-12-phenyldibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-11(6<i>H</i>)-one
;
_journal_coeditor_code           SU2185
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1823
_journal_paper_doi               10.1107/S160053681002430X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C23 H15 Cl N2 O'
_chemical_formula_moiety         'C23 H15 Cl N2 O'
_chemical_formula_sum            'C23 H15 Cl N2 O'
_chemical_formula_weight         370.82
_chemical_name_common
;
9-Chloro-4-methyl-11-phenyl-5,6-diazatetracen-12(5<i>H</i>)-one
;
_chemical_name_systematic
;
2-Chloro-7-methyl-12-phenyldibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-
11(6<i>H</i>)-one
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.4460(10)
_cell_angle_beta                 74.3620(10)
_cell_angle_gamma                77.6720(10)
_cell_formula_units_Z            2
_cell_length_a                   8.2434(2)
_cell_length_b                   8.5528(2)
_cell_length_c                   13.0740(3)
_cell_measurement_reflns_used    5019
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.01
_cell_measurement_theta_min      1.62
_cell_volume                     866.06(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type
'Bruker SMART APEXII area-detector diffractometer'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0189
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21083
_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.44
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.236
_exptl_absorpt_correction_T_max  0.947
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.345
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         5019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0812P)^2^+0.1735P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1384
_reflns_number_gt                4047
_reflns_number_total             5019
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su2185.cif
_cod_data_source_block           I
_cod_database_code               2226692
_cod_database_fobs_code          2226692