An unprecedented ring-opening reaction of N-(aziridin-2-ylmethylene)hydrazines to facile synthesis of functionalized enamines catalysed by Lewis acid
Zhen Zhang; Yin Wei; Min Shi; Chem.Commun. 48 (2012) 5334–; doi:10.1039/c2cc31911j

data_7107731
_publ_section_title
;
 An unprecedented ring-opening reaction of
 N-(aziridin-2-ylmethylene)hydrazines to facile synthesis of
 functionalized enamines catalysed by Lewis acid
;
_journal_name_full               Chem.Commun.
_journal_page_first              5334
_journal_paper_doi               10.1039/c2cc31911j
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C26 H24 N4 O6 S2'
_chemical_formula_weight         552.61
_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                69.652(2)
_cell_angle_beta                 74.456(2)
_cell_angle_gamma                87.696(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0221(10)
_cell_length_b                   12.4227(14)
_cell_length_c                   12.8373(14)
_cell_measurement_reflns_used    3084
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.51
_cell_measurement_theta_min      2.79
_cell_volume                     1297.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0567
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11780
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.255
_exptl_absorpt_correction_T_max  0.9628
_exptl_absorpt_correction_T_min  0.9391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         6843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0757
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.055
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0894P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1583
_reflns_number_gt                4918
_reflns_number_total             6843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc31911j.txt
_cod_data_source_block           mo_dm11466_0m
_cod_original_cell_volume        1297.4(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7107731