Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole
Geiger, David K.; DeStefano, Matthew R.; Acta Crystallographica Section C 72 (2016) 867–874; doi:10.1107/S2053229616015837

data_2020633
_publ_section_title
;
 Conformational differences and intermolecular
 C---H&#x00B7;&#x00B7;&#x00B7;N interactions in three polymorphs of a
 bis(pyridinyl)-substituted benzimidazole
;
_journal_coeditor_code           YP3132
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              867
_journal_page_last               874
_journal_paper_doi               10.1107/S2053229616015837
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'C20 H18 N4'
_chemical_formula_moiety         'C20 H18 N4'
_chemical_formula_sum            'C20 H18 N4'
_chemical_formula_weight         314.38
_chemical_name_systematic
;
5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
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;
PLATON (Spek, 2009) and Mercury (Macrae <i>et al.</i>, 2006)
;
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;
publCIF (Westrip, 2010)
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SHELXL2014 (Sheldrick, 2015)
;
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SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      200.(2)
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_diffrn_measurement_device_type  'Bruker SMART X2S benchtop'
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_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_type           'Mo Ka'
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_diffrn_reflns_limit_l_min       -37
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_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.97
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0585P)^2^+1.8907P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 2020633--2020634.cif.'
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