New insights in the discovery of novel <i>h</i>-MAO-B inhibitors: structural characterization of a series of <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives
Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Chavarria, Daniel; Borges, Fernanda; Acta Crystallographica Section E 71 (2015) 547–554; doi:10.1107/S2056989015007859

data_2240662
_publ_section_title
;
 New insights in the discovery of novel <i>h</i>-MAO-B inhibitors:
 structural characterization of a series of
 <i>N</i>-phenyl-4-oxo-4<i>H</i>-chromene-3-carboxamide derivatives
;
_journal_coeditor_code           LH5762
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              547
_journal_page_last               554
_journal_paper_doi               10.1107/S2056989015007859
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C16 H10 Br N O3'
_chemical_formula_moiety         'C16 H10 Br N O3'
_chemical_formula_sum            'C16 H10 Br N O3'
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_chemical_name_systematic
;
<i>N</i>-(3-Bromophenyl)-4-oxo-4<i>H</i>-chromene-3-carboxamide
;
_space_group_crystal_system      triclinic
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;
<i>CrystalClear-SM Expert</i> (Rigaku, 2012)
;
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;
<i>CrystalClear-SM Expert</i> (Rigaku, 2012)
;
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<i>CrystalClear-SM Expert</i> (Rigaku, 2012)
;
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Mercury (Macrae <i>et al.</i>, 2006)
;
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OSCAIL (McArdle <i>et al.</i>,  2004),
SHELXL (Sheldrick, 2015) and
PLATON (Spek, 2009)
;
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;
OSCAIL (McArdle <i>et al.</i>,  2004),
<i>ShelXle</i> (H\"ubschle <i>et al.</i>,  2011) and
SHELXL (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008),
PLATON (Spek, 2009) and
<i>Flipper 25</i> (Oszl\'anyi & S\"ut\>o, 2004);
;
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Crystal Goniometer
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Rigaku RAXIS conversion
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;
(<i>CrystalClear-SM Expert</i>; Rigaku, 2012)
;
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_exptl_crystal_size_mid          0.340
_exptl_crystal_size_min          0.060
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_refine_diff_density_min         -0.855
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+2.2824P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           3b
_cod_original_cell_volume        1299.64(5)
_cod_database_code               2240662
_cod_database_fobs_code          2240662
_shelx_estimated_absorpt_t_min   0.379
_shelx_estimated_absorpt_t_max   0.832
_shelx_hkl_checksum              92494
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_shelxl_version_number           2014/6