<i>N</i>^2^,<i>N</i>^2'^-Bis(pyridin-2-ylmethylidene)pyridine-2,6-dicarbohydrazide dimethylformamide monosolvate
Fan, Chuan-Gang; Song, Ming-zhi; Acta Crystallographica Section E 66 (2010) o2766–; doi:10.1107/S1600536810039346

data_2227398
_publ_section_title
;
 <i>N</i>^2^,<i>N</i>^2'^-Bis(pyridin-2-ylmethylidene)pyridine-2,6-dicarbohydrazide
 dimethylformamide monosolvate
;
_journal_coeditor_code           DS2055
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2766
_journal_paper_doi               10.1107/S1600536810039346
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C19 H15 N7 O2, C3 H7 N1 O1'
_chemical_formula_moiety         'C19 H15 N7 O2, C3 H7 N1 O1'
_chemical_formula_sum            'C22 H22 N8 O3'
_chemical_formula_weight         446.48
_chemical_name_systematic
;
<i>N</i>^2^,<i>N</i>^2'^-Bis(pyridin-2-ylmethylidene)pyridine-2,6-
dicarbohydrazide dimethylformamide monosolvate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.826(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0944(9)
_cell_length_b                   24.639(2)
_cell_length_c                   9.6552(8)
_cell_measurement_reflns_used    2269
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.479
_cell_measurement_theta_min      2.312
_cell_volume                     2244.5(3)
_computing_cell_refinement       'SAINT (Siemens, 2007)'
_computing_data_collection       'SMART (Siemens, 2007)'
_computing_data_reduction        'SAINT (Siemens, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11220
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.9844
_exptl_absorpt_correction_T_min  0.9673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.170
_refine_diff_density_min         -0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         3945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0448
_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^)+(0.0422P)^2^+0.8005P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1259
_reflns_number_gt                2291
_reflns_number_total             3945
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ds2055.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227398
_cod_database_fobs_code          2227398