Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.
Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung; The Journal of organic chemistry 79 (2014) 11395–11408; doi:10.1021/jo501822m

data_4030200
_publ_section_title
;
 Substituent electronic effects govern direct intramolecular C-N
 cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent
 iodine(III) reagents.
;
_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11395
_journal_page_last               11408
_journal_paper_doi               10.1021/jo501822m
_journal_volume                  79
_journal_year                    2014
_chemical_formula_moiety         'C19 H13 Cl N2 O2'
_chemical_formula_sum            'C19 H13 Cl N2 O2'
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_symmetry_cell_setting           monoclinic
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_cell_measurement_temperature    296(2)
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      296(2)
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_exptl_absorpt_correction_T_min  0.8435
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       prism
_exptl_crystal_F_000             696
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1327P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1801
_refine_ls_wR_factor_ref         0.2653
_reflns_number_gt                1079
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo501822m_si_003.cif
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'Adding full bibliography for 4030200--4030201.cif.'
_cod_original_cell_volume        1557.9(19)
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