<i>N</i>^1^,<i>N</i>^2^-Bis[(2-chloro-6-methylquinolin-3-yl)methylidene]ethane-1,2-diamine
Prasath, R.; Bhavana, P.; Butcher, Anand M.; Butcher, Ray J.; Jasinski, Jerry P.; Acta Crystallographica Section E 66 (2010) o2869–; doi:10.1107/S1600536810041309

data_2227802
_publ_section_title
;
 <i>N</i>^1^,<i>N</i>^2^-Bis[(2-chloro-6-methylquinolin-3-yl)methylidene]ethane-1,2-diamine
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2869
_journal_paper_doi               10.1107/S1600536810041309
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C24 H20 Cl2 N4'
_chemical_formula_moiety         'C24 H20 Cl2 N4'
_chemical_formula_sum            'C24 H20 Cl2 N4'
_chemical_formula_weight         435.34
_chemical_name_systematic
;
<i>N</i>^1^,<i>N</i>^2^-Bis[(2-chloro-6-methylquinolin-3-yl)methylidene]ethane-
1,2-diamine
;
_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                84.236(11)
_cell_angle_beta                 87.924(12)
_cell_angle_gamma                78.698(14)
_cell_formula_units_Z            1
_cell_length_a                   4.4088(8)
_cell_length_b                   7.2008(11)
_cell_length_c                   16.9383(18)
_cell_measurement_reflns_used    2032
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      73.3855
_cell_measurement_theta_min      5.2457
_cell_volume                     524.57(14)
_computing_cell_refinement
;
CrysAlis Pro (Oxford Diffraction 2007)
;
_computing_data_collection
;
CrysAlis Pro (Oxford Diffraction 2007)
;
_computing_data_reduction
;
CrysAlis Pro (Oxford Diffraction 2007)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type
'Oxford Diffraction Xcalibur diffractometer with Ruby Gemini detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            3137
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         73.55
_diffrn_reflns_theta_min         5.25
_exptl_absorpt_coefficient_mu    2.925
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis Pro; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             226
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.289
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2011
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0564
_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^)+(0.1105P)^2^+0.0630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1578
_refine_ls_wR_factor_ref         0.1680
_reflns_number_gt                1710
_reflns_number_total             2011
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5149.cif
_cod_data_source_block           I
_cod_database_code               2227802
_cod_database_fobs_code          2227802