Crystal structure of (2<i>E</i>)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide
Shripanavar, Chetan Shrimandhar; Butcher, Ray J.; Acta Crystallographica Section E 71 (2015) 377–379; doi:10.1107/S2056989015004569

data_2240501
_publ_section_title
;
 Crystal structure of
 (2<i>E</i>)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide
;
_journal_coeditor_code           HG5434
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              377
_journal_page_last               379
_journal_paper_doi               10.1107/S2056989015004569
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C24 H22 N4 O5'
_chemical_formula_moiety         'C24 H22 N4 O5'
_chemical_formula_sum            'C24 H22 N4 O5'
_chemical_formula_weight         446.45
_chemical_name_systematic
(2<i>E</i>)-2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-<i>N</i>'-(4-nitrobenzylidene)ethanohydrazide
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 95.803(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.6821(4)
_cell_length_b                   23.2151(12)
_cell_length_c                   25.1943(15)
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.230
_cell_measurement_theta_min      2.390
_cell_volume                     4470.1(4)
_computing_cell_refinement
;
SAINT (Bruker, 2005)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2005)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SUPERFLIP (Palatinus & Chapuis 2007)
;
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            34631
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.322
_diffrn_reflns_theta_min         2.392
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       needle
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         11046
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0372P)^2^+1.7501P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                8755
_reflns_number_total             11046
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg5434sup1.cif
_cod_data_source_block           I
_cod_database_code               2240501
_cod_database_fobs_code          2240501
_shelx_hkl_checksum              46886
_shelx_res_checksum              34907
_shelxl_version_number           201.4