(<i>Z</i>)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine <i>N</i>,<i>N</i>-dimethylformamide solvate
Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming; Acta Crystallographica Section E 62 (2006) o4734–o4735; doi:10.1107/S1600536806039225

data_2210487
_publ_section_title
;(<i>Z</i>)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine
 <i>N</i>,<i>N</i>-dimethylformamide solvate
;
_journal_coeditor_code           AT2122
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4734
_journal_page_last               o4735
_journal_paper_doi               10.1107/S1600536806039225
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C20 H15 Cl N4 O5 , C3 H7 N O'
_chemical_formula_moiety         'C20 H15 Cl N4 O5 , C3 H7 N O'
_chemical_formula_sum            'C23 H22 Cl N5 O6'
_chemical_formula_weight         499.91
_chemical_name_systematic
;
(Z)-1-[2-(2-Chlorobenzyloxy)benzylidene]-2-(2,4-dinitrophenyl)hydrazine
N,N-dimethylformamide solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.455(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.844(4)
_cell_length_b                   12.887(7)
_cell_length_c                   23.631(13)
_cell_measurement_reflns_used    2853
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      22.62
_cell_measurement_theta_min      3.04
_cell_volume                     2387(2)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11916
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.73
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4199
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0438
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0543P)^2^+0.5074P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1321
_reflns_number_gt                2393
_reflns_number_total             4199
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2122.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2210487
_cod_database_fobs_code          2210487