(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine
Fun, Hoong-Kun; Nilwanna, Boonlerd; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Acta Crystallographica Section E 68 (2012) o398–o399; doi:10.1107/S1600536812000815

data_2233482
_publ_section_title
;
 (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine
;
_journal_coeditor_code           HB6595
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o398
_journal_page_last               o399
_journal_paper_doi               10.1107/S1600536812000815
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C14 H11 F N4 O4'
_chemical_formula_moiety         'C14 H11 F N4 O4'
_chemical_formula_sum            'C14 H11 F N4 O4'
_chemical_formula_weight         318.27
_chemical_melting_point_gt       507
_chemical_melting_point_lt       508
_chemical_name_systematic
;
(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(4-fluorophenyl)ethylidene]hydrazine
;
_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                100.649(3)
_cell_angle_beta                 104.948(3)
_cell_angle_gamma                94.177(3)
_cell_formula_units_Z            4
_cell_length_a                   8.8278(3)
_cell_length_b                   10.9177(4)
_cell_length_c                   15.2698(6)
_cell_measurement_reflns_used    5084
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.41
_cell_volume                     1386.10(9)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19163
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.41
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.123
_exptl_absorpt_correction_T_max  0.9956
_exptl_absorpt_correction_T_min  0.9620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.335
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         5084
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.1068
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0581P)^2^+0.5322P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1294
_refine_ls_wR_factor_ref         0.1437
_reflns_number_gt                3438
_reflns_number_total             5084
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6595.cif
_cod_data_source_block           I
_cod_database_code               2233482
_cod_database_fobs_code          2233482