<i>N</i>,<i>N</i>-Dicyclohexyl-2-(5,7-dichloro-8-quinolyloxy)acetamide
Wang, Jing-Lin; Acta Crystallographica Section E 65 (2009) o2663–; doi:10.1107/S160053680903966X

data_2223604
_publ_section_title
;
 <i>N</i>,<i>N</i>-Dicyclohexyl-2-(5,7-dichloro-8-quinolyloxy)acetamide
;
_journal_coeditor_code           BH2246
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2663
_journal_paper_doi               10.1107/S160053680903966X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C23 H28 Cl2 N2 O2'
_chemical_formula_moiety         'C23 H28 Cl2 N2 O2'
_chemical_formula_sum            'C23 H28 Cl2 N2 O2'
_chemical_formula_weight         435.37
_chemical_name_systematic
;
<i>N</i>,<i>N</i>-Dicyclohexyl-2-(5,7-dichloro-8-quinolyloxy)acetamide
;
_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                72.392(2)
_cell_angle_beta                 86.880(2)
_cell_angle_gamma                80.208(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8476(11)
_cell_length_b                   10.7542(12)
_cell_length_c                   11.1376(12)
_cell_measurement_reflns_used    2570
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.67
_cell_measurement_theta_min      2.66
_cell_volume                     1107.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w 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  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5942
_diffrn_reflns_theta_full        25.67
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    0.315
_exptl_absorpt_correction_T_max  0.9456
_exptl_absorpt_correction_T_min  0.9340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick,1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombus
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4088
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0584P)^2^+0.3083P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                3400
_reflns_number_total             4088
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2246.cif
_cod_data_source_block           I
_cod_database_code               2223604
_cod_database_fobs_code          2223604