X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene: comparing the supramolecular structural features among the symmetrical bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional isomers
Quentin, Jay; Reinheimer, Eric W.; MacGillivray, Leonard R.; Acta Crystallographica Section E 76 (2020) 1859–1862; doi:10.1107/S2056989020015303

data_2243684
_publ_section_title
;
 X-ray crystal structure of <i>trans</i>-bis(pyridin-3-yl)ethylene:
 comparing the supramolecular structural features among the symmetrical
 bis(<i>n</i>-pyridyl)ethylenes (<i>n</i> = 2, 3, or 4) constitutional
 isomers
;
_journal_coeditor_code           DJ2017
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1859
_journal_page_last               1862
_journal_paper_doi               10.1107/S2056989020015303
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C12 H10 N2'
_chemical_formula_moiety         'C12 H10 N2'
_chemical_formula_sum            'C12 H10 N2'
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_chemical_name_common
;
<i>trans</i>-1,2-Bis(pyridin-3-yl)ethylene
;
_chemical_name_systematic
;
<i>trans</i>-1,2-Bis(pyridin-3-yl)ethene
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
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;
COLLECT (Nonius, 1998)
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HKL Scalepack (Otwinowski & Minor, 1997)
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HKL Denzo and Scalepack (Otwinowski & Minor, 1997)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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ShelXL (Sheldrick, 2015b)
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ShelXT (Sheldrick, 2015a)
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_exptl_absorpt_coefficient_mu    0.077
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;
(SADABS; Krause et al., 2015)
;
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_refine_diff_density_min         -0.164
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_refine_ls_restrained_S_all      1.068
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0703P)^2^+0.0560P] where P=(Fo^2^+2Fc^2^)/3'
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