Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.
Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo; Organic & biomolecular chemistry 18 (2020) 3177–3189; doi:10.1039/d0ob00087f

data_7157441
_publ_section_title
;
 Experimental results and computational insight into sequential reactions
 of \b-(2-aminophenyl)-\a,\b-ynones with aryl isocyanates/benzoyl
 isothiocyanate.
;
_journal_issue                   16
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3177
_journal_page_last               3189
_journal_paper_doi               10.1039/d0ob00087f
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         'C22 H16 N2 O2'
_chemical_formula_sum            'C22 H16 N2 O2'
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_audit_update_record
;
2020-03-09 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
;
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;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow'
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0365P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7157441--7157443.cif.'
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_cod_database_code               7157441
_shelx_shelxl_version_number     2018/3
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