Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl chloride and isobutyro-nitrile.
Temesgen, Ayalew W.; Sapronov, Alexander A.; Kubasov, Alexey S.; Novikov, Alexander S.; Le, Tuan Anh; Tskhovrebov, Alexander G.; Acta crystallographica. Section E, Crystallographic communications 80 (2024) 247–251; doi:10.1107/S2056989024000938

data_2023030
_publ_section_title
;
 Synthesis and crystal structure of the adduct between 2-pyridyl-selenyl
 chloride and isobutyro-nitrile.
;
_journal_coeditor_code           EX2079
_journal_issue                   'Pt 3'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              247
_journal_page_last               251
_journal_paper_doi               10.1107/S2056989024000938
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          'C9 H11 N2 Se +, Cl -'
_chemical_formula_moiety         'C9 H11 N2 Se +, Cl -'
_chemical_formula_sum            'C9 H11 Cl N2 Se'
_chemical_formula_weight         261.61
_chemical_name_systematic
;
3-(Propan-2-yl)-1,2,4-[1,2,4]selenadiazolo[4,5-<i>a</i>]pyridin-4-ylium chloride
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
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_cell_length_b                   15.015(15)
_cell_length_c                   30.93(3)
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_cell_volume                     4194(8)
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;
SAINT V8.40A (Bruker, 2019)
;
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APEX2 (Bruker, 2019)
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SAINT V8.40A (Bruker, 2019)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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<i>SHELXL2018/3</i> (Sheldrick, 2015b)
;
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;
<i>SHELXT2014/5</i> (Sheldrick, 2015a)
;
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_reflns_limit_l_min       -34
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_diffrn_source_current           1.4
_diffrn_source_power             0.07
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;
(SADABS; Krause <i>et al.</i>,  2015)
;
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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^)+(0.0572P)^2^+24.4862P] 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 2023030.cif.'
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