An efficient facile and one-pot synthesis of benzodiazepines and chemoselective 1,2-disubstituted benzimidazoles using a magnetically retrievable Fe3O4 nanocatalyst under solvent free conditions
Jamatia, Ramen; Saha, Mithu; Pal, Amarta Kumar; RSC Adv. 4 (2014) 12826–; doi:10.1039/C3RA47860B

data_7235343
_publ_section_title
;
 An efficient facile and one-pot synthesis of benzodiazepines and
 chemoselective 1,2-disubstituted benzimidazoles using a magnetically
 retrievable Fe3O4 nanocatalyst under solvent free conditions
;
_journal_issue                   25
_journal_name_full               'RSC Adv.'
_journal_page_first              12826
_journal_paper_doi               10.1039/C3RA47860B
_journal_volume                  4
_journal_year                    2014
_chemical_formula_sum            'C22 H18 Cl2 N2'
_chemical_formula_weight         381.28
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        '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                 116.746(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0976(12)
_cell_length_b                   10.0170(7)
_cell_length_c                   14.9301(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1882.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.871
_diffrn_measured_fraction_theta_max 0.871
_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  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9789
_diffrn_reflns_theta_full        29.11
_diffrn_reflns_theta_max         29.11
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    0.353
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_refine_diff_density_max         0.450
_refine_diff_density_min         -0.395
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0548
_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^)+(0.0533P)^2^+0.6039P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1174
_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                2719
_reflns_number_total             4403
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra47860b2.cif
_cod_data_source_block           ap-rj-35
_cod_database_code               7235343