(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine
Jasinski, Jerry P.; Braley, Adam N.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.; Acta Crystallographica Section E 67 (2011) o1200–o1201; doi:10.1107/S1600536811014383

data_2230094
_publ_section_title
;
 (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)hydrazine
;
_journal_coeditor_code           NG5151
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1200
_journal_page_last               o1201
_journal_paper_doi               10.1107/S1600536811014383
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C13 H9 F N4 O4'
_chemical_formula_moiety         'C13 H9 F N4 O4'
_chemical_formula_sum            'C13 H9 F N4 O4'
_chemical_formula_weight         304.24
_chemical_name_systematic
;
(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(2-fluorobenzylidene)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
_cell_angle_alpha                88.614(7)
_cell_angle_beta                 80.544(8)
_cell_angle_gamma                71.368(10)
_cell_formula_units_Z            2
_cell_length_a                   7.0961(8)
_cell_length_b                   8.2714(9)
_cell_length_c                   11.7230(8)
_cell_measurement_reflns_used    3528
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.1479
_cell_measurement_theta_min      3.0655
_cell_volume                     642.86(12)
_computing_cell_refinement
'<i>CrysAlis PRO</i> (Oxford Diffraction, 2007)'
_computing_data_collection
'<i>CrysAlis PRO</i> (Oxford Diffraction, 2007)'
_computing_data_reduction
'<i>CrysAlis RED</i> (Oxford Diffraction, 2007)'
_computing_molecular_graphics    '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_publication_material  '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1500
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Eos Gemini'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6346
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.129
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             312
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3466
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0454
_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^)+(0.0733P)^2^+0.0845P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1425
_reflns_number_gt                2802
_reflns_number_total             3466
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng5151.cif
_cod_data_source_block           I
_cod_original_cell_volume        642.86(11)
_cod_database_code               2230094
_cod_database_fobs_code          2230094