Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.
Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc; Acta crystallographica. Section E, Crystallographic communications 79 (2023) 982–987; doi:10.1107/S2056989023008514

data_2022866
_publ_section_title
;
 Unusual reaction of
 (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol
 with tri-phenyl-borane: crystal structures and optical properties.
;
_journal_coeditor_code           PK2698
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              982
_journal_page_last               987
_journal_paper_doi               10.1107/S2056989023008514
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          'C18 H19 N3 O S'
_chemical_formula_moiety         'C18 H19 N3 O S'
_chemical_formula_sum            'C18 H19 N3 O S'
_chemical_formula_weight         325.42
_chemical_name_systematic
(<i>E</i>)-2-[(Benzo[<i>d</i>]thiazol-2-ylimino)methyl]-5-(diethylamino)phenol
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
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_cell_formula_units_Z            4
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_cell_length_c                   10.2761(3)
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_cell_measurement_temperature    294(2)
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;
CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)
;
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CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)
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CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)
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Olex2 1.3 (Dolomanov <i>et al.</i>,  2009)
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Olex2 1.3 (Dolomanov <i>et al.</i>,  2009)
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<i>SHELXL2016/4</i> (Sheldrick, 2015b)
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<i>SHELXT2014/5</i> (Sheldrick, 2015a)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_unetI/netI     0.0195
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_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_k_min       -27
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
(CrysAlisPro; Rigaku OD, 2022)
;
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_exptl_crystal_size_min          0.05
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_refine_ls_number_restraints     5
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0472P)^2^+1.0100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                2650
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 2022866--2022867.cif.'
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