(<i>E</i>)-3-Chloro-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]aniline
Vesek, Hilal; Kazak, Canan; Alaman Ağar, Ayşen; Macit, Mustafa; Soylu, Mustafa Serkan; Acta Crystallographica Section E 68 (2012) o2518–; doi:10.1107/S1600536812032114

data_2235767
_publ_section_title
;
 (<i>E</i>)-3-Chloro-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]aniline
;
_journal_coeditor_code           BX2419
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2518
_journal_paper_doi               10.1107/S1600536812032114
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C19 H16 Cl N O'
_chemical_formula_moiety         'C19 H16 Cl N O'
_chemical_formula_sum            'C19 H16 Cl N O'
_chemical_formula_weight         309.78
_chemical_name_systematic
;
(<i>E</i>)-3-Chloro-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]aniline
;
_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                76.253(13)
_cell_angle_beta                 79.794(10)
_cell_angle_gamma                84.337(17)
_cell_formula_units_Z            2
_cell_length_a                   8.0084(14)
_cell_length_b                   8.7315(19)
_cell_length_c                   11.7043(8)
_cell_measurement_reflns_used    1666
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.6871
_cell_measurement_theta_min      3.3171
_cell_volume                     781.0(2)
_computing_cell_refinement
;
X-AREA (Stoe & Cie, 2001)
;
_computing_data_collection
;
X-AREA (Stoe & Cie, 2001)
;
_computing_data_reduction
;
X-RED32 (Stoe & Cie, 2001)
;
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 16.0454
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
;
Stoe IPDS II two-circle
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5144
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    0.245
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79284
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(X-AREA and X-RED32; Stoe & Cie, 2001)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             324
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3057
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0579
_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^)+(0.0836P)^2^+0.0386P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1801
_reflns_number_gt                2098
_reflns_number_total             3057
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bx2419.cif
_cod_data_source_block           I
_cod_database_code               2235767
_cod_database_fobs_code          2235767