Intermolecular interactions in a phenol-substituted benzimidazole
Geiger, David K.; Geiger, H. Cristina; Moore, Shawn M.; Acta Crystallographica Section E 75 (2019) 272–276; doi:10.1107/S2056989019001270

data_2242833
_publ_section_title
;
 Intermolecular interactions in a phenol-substituted benzimidazole
;
_journal_coeditor_code           ZL2750
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              272
_journal_page_last               276
_journal_paper_doi               10.1107/S2056989019001270
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          'C22 H20 N2 O2, 2C3 H6 O'
_chemical_formula_moiety         'C22 H20 N2 O2, 2(C3 H6 O)'
_chemical_formula_sum            'C28 H32 N2 O4'
_chemical_formula_weight         460.55
_chemical_name_systematic
'1-(4-Hydroxybenzyl)-2-(4-hydroxyphenyl)-5,6-dimethyl-1<i>H</i>-benzimidazole acetone disolvate'
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_length_c                   22.436(3)
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_cell_measurement_theta_min      2.2528
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_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX2 (Bruker, 2015)
;
_computing_data_reduction
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SAINT (Bruker, 2015)
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_computing_molecular_graphics
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PLATON (Spek, 2009), Mercury (Macrae <i>et al.</i>, 2008)
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publCIF (Westrip, 2010)
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<i>SHELXL2014/7</i> (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
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_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_full        25.08
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;
(SADABS; Bruker, 2015)
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;
SHELXL-2014/7 (Sheldrick 2015)
;
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_refine_ls_number_reflns         4489
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1240P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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