Crystal structures of four co-crystals of (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids: 4-methoxybenzoic acid–(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-ethoxybenzoic acid–(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1), 4-<i>n</i>-propoxybenzoic acid–(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1) and 4-<i>n</i>-butoxybenzoic acid–(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)
Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki; Acta Crystallographica Section E 72 (2016) 1666–1671; doi:10.1107/S2056989016017138

data_2241906
_publ_section_title
;
 Crystal structures of four co-crystals of
 (<i>E</i>)-1,2-di(pyridin-4-yl)ethene with 4-alkoxybenzoic acids:
 4-methoxybenzoic acid--(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1),
 4-ethoxybenzoic acid--(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1),
 4-<i>n</i>-propoxybenzoic acid--(<i>E</i>)-1,2-di(pyridin-4-yl)ethene
 (2/1) and 4-<i>n</i>-butoxybenzoic
 acid--(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1666
_journal_page_last               1671
_journal_paper_doi               10.1107/S2056989016017138
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '2C8 H8 O3, C12 H10 N2'
_chemical_formula_moiety         '2(C8 H8 O3), C12 H10 N2'
_chemical_formula_sum            'C28 H26 N2 O6'
_chemical_formula_weight         486.52
_chemical_name_systematic
;
4-Methoxybenzoic acid--(<i>E</i>)-1,2-di(pyridin-4-yl)ethene (2/1)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.706(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.259(4)
_cell_length_b                   7.2693(17)
_cell_length_c                   14.758(4)
_cell_measurement_reflns_used    12695
_cell_measurement_temperature    93.0(10)
_cell_measurement_theta_max      30.05
_cell_measurement_theta_min      3.15
_cell_volume                     1162.8(6)
_computing_cell_refinement
;
RAPID-AUTO (Rigaku, 2006)
;
_computing_data_collection
;
RAPID-AUTO (Rigaku, 2006)
;
_computing_data_reduction
;
RAPID-AUTO (Rigaku, 2006)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
CrystalStructure (Rigaku, 2010) and PLATON (Spek, 2015)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
<i>Il Milione</i> (Burla <i>et al.</i>,  2007)
;
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPIDII'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0146
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11262
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         3.148
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.098
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>ABSCOR</i>; Higashi, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             512.00
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.304
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         2674
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0554P)^2^+0.3311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.0991
_reflns_number_gt                2437
_reflns_number_total             2674
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5826sup1.cif
_cod_data_source_block           I
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_shelx_hkl_checksum              15424
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