Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions.
Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori; Organic letters 11 (2009) 281–284; doi:10.1021/ol802383f

data_1503725
_publ_section_title
;
 Direct transfer of the sulfonylimino group of imino-lambda3-bromane to
 N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides
 under metal-free conditions.
;
_journal_issue                   2
_journal_name_full               'Organic letters'
_journal_page_first              281
_journal_page_last               284
_journal_paper_doi               10.1021/ol802383f
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C7 H7 F3 N2 O2 S '
_chemical_formula_sum            'C7 H7 F3 N2 O2 S'
_chemical_formula_weight         240.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.27(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.483(5)
_cell_length_b                   7.230(4)
_cell_length_c                   13.081(6)
_cell_measurement_reflns_used    9811
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.3
_cell_volume                     946.7(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6747
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    0.370
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.857
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             488.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.57
_refine_diff_density_min         -1.82
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     143
_refine_ls_number_reflns         6734
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0030Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1522
_reflns_number_gt                6028
_reflns_number_total             1731
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol802383f_si_002.cif
_cod_data_source_block           '_yka22____________________'
_cod_original_formula_sum        'C7 H7 F3 N2 O2 S '
_cod_database_code               1503725