A Remarkable Accelerating Effect of Ag-Salt on Intramolecular Cyclization of o-(1-Alkynyl)benzenesulfonamides
Deepak Kumar Barange; T. C. Nishad; N. Kumara Swamy; Venkanna Bandameedi; Dinesh Kumar; Bukkapattanam R. Sreekanth; K. Vyas; Manojit Pal; Journal of Organic Chemistry 72 (2007) 8547–8550; doi:10.1021/jo701470h

data_4023017
_publ_contact_author_email       manojitpal@drreddys.com
_publ_contact_author_fax         '91 40 2304 5438'
_publ_contact_author_name        'Manojit Pal'
_publ_contact_author_phone       '91 40 2304 5439'
_publ_section_title
;
 A Remarkable Accelerating Effect of Ag-Salt on
 Intramolecular Cyclization of o-(1-Alkynyl)benzenesulfonamides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8547
_journal_page_last               8550
_journal_paper_doi               10.1021/jo701470h
_journal_volume                  72
_journal_year                    2007
_chemical_formula_moiety         'C20 H21 N O2 S '
_chemical_formula_sum            'C20 H21 N O2 S'
_chemical_formula_weight         339.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2007-06-22
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.434(4)
_cell_angle_beta                 94.258(8)
_cell_angle_gamma                111.215(6)
_cell_formula_units_Z            2
_cell_length_a                   8.950(5)
_cell_length_b                   10.125(6)
_cell_length_c                   10.704(5)
_cell_measurement_reflns_used    2987
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.0
_cell_measurement_theta_min      1.9
_cell_volume                     901.1(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    X-seed
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9973
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         27.05
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_T_max  0.963
_exptl_absorpt_correction_T_min  0.923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            paleyellow
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             360.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       202(15)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     245
_refine_ls_number_reflns         2628
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    12038.7000    16760.2000    5056.8000
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                2222
_reflns_number_total             3652
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo701470h-File003.cif
_cod_data_source_block           '__DKB95A'
_cod_original_formula_sum        'C20 H21 N O2 S '
_cod_database_code               4023017