Metal- and Catalyst-Free, Formal [4 + 1] Annulation via Tandem C═O/C═S Functionalization: One-Pot Access to 3,5-Disubstituted/Annulated Isothiazoles.
Shukla, Gaurav; Srivastava, Abhijeet; Singh, Maya Shankar; Organic letters 18 (2016) 2451–2454; doi:10.1021/acs.orglett.6b00997

data_1543260
_publ_section_title
;
 Metal- and Catalyst-Free, Formal [4 + 1] Annulation via Tandem
 C&#x2550;O/C&#x2550;S Functionalization: One-Pot Access to
 3,5-Disubstituted/Annulated Isothiazoles.
;
_journal_issue                   10
_journal_name_full               'Organic letters'
_journal_page_first              2451
_journal_page_last               2454
_journal_paper_doi               10.1021/acs.orglett.6b00997
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C12 H11 N O2 S2'
_chemical_formula_sum            'C12 H11 N O2 S2'
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_cell_length_c                   12.1476(16)
_cell_measurement_reflns_used    98
_cell_measurement_temperature    291(2)
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_computing_cell_refinement       'Bruker Kappa Apex'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi omega scans'
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_diffrn_radiation_wavelength     0.71073
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.496
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_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_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^)+(0.0551P)^2^+0.1093P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
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_cod_depositor_comments          'Adding full bibliography for 1543260.cif.'
_cod_original_cell_volume        589.03(13)
_cod_database_code               1543260