{5-Chloro-2-[(2-hydroxybenzylidene)amino]phenyl}(phenyl)methanone
Aslam, M.; Anis, I.; Afza, N.; Nelofar, A.; Yousuf, S.; Acta Crystallographica Section E 67 (2011) o3442–o3443; doi:10.1107/S1600536811048690

data_2232939
_publ_section_title
;
 {5-Chloro-2-[(2-hydroxybenzylidene)amino]phenyl}(phenyl)methanone
;
_journal_coeditor_code           RZ2667
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3442
_journal_page_last               o3443
_journal_paper_doi               10.1107/S1600536811048690
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C20 H14 Cl N O2'
_chemical_formula_moiety         'C20 H14 Cl N O2'
_chemical_formula_sum            'C20 H14 Cl N O2'
_chemical_formula_weight         335.77
_chemical_name_common
;
2-[<i>N</i>-(2-benzoyl-4-chlorophenyl)carboximidoyl]phenol
;
_chemical_name_systematic
;
{5-Chloro-2-[(2-hydroxybenzylidene)amino]phenyl}(phenyl)methanone
;
_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                73.120(2)
_cell_angle_beta                 87.919(3)
_cell_angle_gamma                82.953(3)
_cell_formula_units_Z            2
_cell_length_a                   7.3904(9)
_cell_length_b                   10.7933(14)
_cell_length_c                   10.8999(14)
_cell_measurement_reflns_used    3265
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.95
_cell_volume                     825.70(18)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008), PARST (Nardelli, 1995) and PLATON
(Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Bruker SMART APEX CCD area-detector
;
_diffrn_measurement_method       '\w scan'
_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  0.0163
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9338
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.243
_exptl_absorpt_correction_T_max  0.9622
_exptl_absorpt_correction_T_min  0.9029
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             348
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.165
_refine_diff_density_min         -0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3066
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0379
_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^)+(0.0541P)^2^+0.1538P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1008
_refine_ls_wR_factor_ref         0.1093
_reflns_number_gt                2481
_reflns_number_total             3066
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2667.cif
_cod_data_source_block           I
_cod_original_cell_volume        825.71(18)
_cod_database_code               2232939
_cod_database_fobs_code          2232939