Regioselective thiolation of arenes and heteroarenes: C-h functionalization strategy for C-s bond formation.
Varun, Begur Vasanthkumar; Prabhu, Kandikere Ramaiah; The Journal of organic chemistry 79 (2014) 9655–9668; doi:10.1021/jo501793q

data_4030013
_publ_section_title
;
 Regioselective thiolation of arenes and heteroarenes: C-h
 functionalization strategy for C-s bond formation.
;
_journal_issue                   20
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              9655
_journal_page_last               9668
_journal_paper_doi               10.1021/jo501793q
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C15 H13 N O3 S'
_chemical_formula_sum            'C15 H13 N O3 S'
_chemical_formula_weight         287.32
_chemical_name_systematic
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 ?
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
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Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
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_cell_length_c                   11.1966(16)
_cell_measurement_reflns_used    3890
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 w=1/[\s^2^(Fo^2^)+(0.0374P)^2^+0.1703P]
 where P=(Fo^2^+2Fc^2^)/3
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;
1. Others
 Fixed Sof: H10A(0.5) H10B(0.5) H10C(0.5) H10D(0.5) H10E(0.5) H10F(0.5)
 Fixed Uiso: H3(0.049) H8(0.054) H10A(0.101) H10B(0.101) H10C(0.101)
 H10D(0.101) H10E(0.101) H10F(0.101) H11A(0.09) H11B(0.09) H11C(0.09)
 H13(0.056) H14(0.06) H15(0.056) H16(0.057)
 Fixed X: H3(0.6511) H8(0.8899) H10A(0.9751) H10B(0.8421) H10C(0.8236)
 H10D(0.7854) H10E(0.9184) H10F(0.9369) H11A(0.911) H11B(1.0147) H11C(0.7942)
 H13(0.2412) H14(0.4757) H15(0.5311) H16(0.7902)
 Fixed Y: H3(0.4966) H8(-0.0292) H10A(-0.201) H10B(-0.2529) H10C(-0.3864)
 H10D(-0.3593) H10E(-0.3073) H10F(-0.1738) H11A(0.7032) H11B(0.8923)
 H11C(0.7989) H13(-0.3104) H14(-0.385) H15(0.1744) H16(0.3595)
 Fixed Z: H3(0.3531) H8(0.1752) H10A(0.0421) H10B(-0.0934) H10C(-0.0037) H10D(-
 0.0788) H10E(0.0568) H10F(-0.033) H11A(0.3311) H11B(0.3987) H11C(0.3841) H13(-
 0.0326) H14(-0.0927) H15(0.5891) H16(0.7425)
;
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_olex2_submission_special_instructions 'No special instructions were received'