The crystal structures of three pyrazine-2,5-dicarboxamides: three-dimensional supramolecular structures
Cati, Dilovan S.; Stoeckli-Evans, Helen; Acta Crystallographica Section E 73 (2017) 729–734; doi:10.1107/S2056989017005898

data_2242145
_publ_section_title
;
 The crystal structures of three pyrazine-2,5-dicarboxamides:
 three-dimensional supramolecular structures
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              729
_journal_page_last               734
_journal_paper_doi               10.1107/S2056989017005898
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'C18 H16 N6 O2'
_chemical_formula_moiety         'C18 H16 N6 O2'
_chemical_formula_sum            'C18 H16 N6 O2'
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_chemical_name_systematic
;
<i>N</i>^2^,<i>N</i>^5^-Bis(pyridin-4-ylmethyl)pyrazine-2,5-dicarboxamide
;
_space_group_crystal_system      monoclinic
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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;
CELL in <i>IPDS-I </i>(Stoe & Cie, 2004)
;
_computing_data_collection
;
EXPOSE in <i>IPDS-I </i>(Stoe & Cie, 2004)
;
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INTEGRATE in <i>IPDS-I </i>(Stoe & Cie, 2004)
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_computing_molecular_graphics
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PLATON (Spek, 2009) and Mercury (Macrae <i>et al.</i>,  2008)
;
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SHELXL2014 (Sheldrick, 2015), PLATON (Spek, 2009) and
publCIF (Westrip, 2010)
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SHELXL2014 (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008)
;
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;
(MULABS; Spek, 2009)
;
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_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
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_refine_diff_density_min         -0.187
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_refine_ls_number_reflns         1513
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0439
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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^)+(0.0502P)^2^+0.2467P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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