2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline
Sema Öztürk; Mehmet Akkurt; Feray Aydog̃an; Acta Crystallographica Section E 57 (2001) o730–o732; doi:10.1107/S1600536801011771

data_2200392
_publ_section_title
;
 2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o730
_journal_page_last               o732
_journal_paper_doi               10.1107/S1600536801011771
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C18 H15 Cl N2'
_chemical_formula_moiety         'C18 H15 Cl N2'
_chemical_formula_sum            'C18 H15 Cl N2'
_chemical_formula_weight         294.77
_chemical_name_systematic
;
2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.039(2)
_cell_angle_beta                 76.866(2)
_cell_angle_gamma                76.886(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4962(7)
_cell_length_b                   9.5511(9)
_cell_length_c                   11.4013(11)
_cell_measurement_reflns_used    1530
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.8
_cell_volume                     765.90(13)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .954
_diffrn_measured_fraction_theta_max .954
_diffrn_measurement_device_type  'Siemens SMART 1000 CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0396
_diffrn_reflns_av_sigmaI/netI    .0981
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4930
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.84
_diffrn_standards_decay_%        <2
_exptl_absorpt_coefficient_mu    .244
_exptl_absorpt_correction_T_max  .9760
_exptl_absorpt_correction_T_min  .9217
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             308
_exptl_crystal_size_max          .34
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .10
_refine_diff_density_max         .241
_refine_diff_density_min         -.290
_refine_ls_extinction_coef       .012(6)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3363
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .976
_refine_ls_R_factor_all          .1607
_refine_ls_R_factor_gt           .0705
_refine_ls_shift/su_max          .006
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0995P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .2171
_reflns_number_gt                1573
_reflns_number_total             3363
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6063.cif
_cod_data_source_block           I
_cod_database_code               2200392
_cod_database_fobs_code          2200392