Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues
Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.; Acta Crystallographica Section E 77 (2021) 96–100; doi:10.1107/S205698902100013X

data_2243717
_publ_section_title
;
 Synthesis and comparative structural study of
 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and
 di-<i>N</i>-methylated analogues
;
_journal_coeditor_code           WM5594
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              96
_journal_page_last               100
_journal_paper_doi               10.1107/S205698902100013X
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          'C16 H11 N3'
_chemical_formula_moiety         'C16 H11 N3'
_chemical_formula_sum            'C16 H11 N3'
_chemical_formula_weight         245.28
_chemical_name_systematic
;
2-(Pyridin-2-yl)-1<i>H</i>-perimidine
;
_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'
_atom_sites_solution_hydrogens   difmap
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Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
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_cell_length_c                   17.3881(7)
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_computing_cell_refinement
;
SAINT (Bruker, 2017)
;
_computing_data_collection
;
APEX3 (Bruker, 2017)
;
_computing_data_reduction
;
SAINT (Bruker, 2017)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
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publCIF (Westrip, 2010)
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SHELXL (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
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;
(<i>SADABS</i>; 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^)+(0.0570P)^2^+1.1159P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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