##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium
3,5-dicarboxybenzenesulfonate methanol monosolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H19 N2 +, C8 H5 O7 S -, C H4 O'
_chemical_formula_sum     'C25 H28 N2 O8 S'
_chemical_formula_iupac     'C16 H19 N2 +, C8 H5 O7 S -, C H4 O'
_chemical_formula_weight     516.55
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     7.5277(12)
_cell_length_b     10.5517(17)
_cell_length_c     16.467(3)
_cell_angle_alpha     106.750(7)
_cell_angle_beta     97.504(8)
_cell_angle_gamma     100.273(8)
_cell_volume     1209.2(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     4222
_cell_measurement_theta_min     1.3162
_cell_measurement_theta_max     27.4806
_cell_measurement_temperature     173(2)
_exptl_crystal_description     'block'
_exptl_crystal_colour     'red'
_exptl_crystal_size_max     0.45
_exptl_crystal_size_mid     0.31
_exptl_crystal_size_min     0.22
_exptl_crystal_density_diffrn     1.419
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     544
_exptl_absorpt_coefficient_mu     0.188
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(CrystalClear; Rigaku, 2008)'
_exptl_absorpt_correction_T_min     0.6288
_exptl_absorpt_correction_T_max     1.0000
_exptl_special_details     ?
_diffrn_ambient_temperature     173(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku Saturn724+ CCD'
_diffrn_measurement_method     'ω scans at fixed χ = 45°'
_diffrn_detector_area_resol_mean     28.5714
_diffrn_reflns_number     15622
_diffrn_reflns_av_R_equivalents     0.0370
_diffrn_reflns_av_sigmaI/netI     0.0364
_diffrn_reflns_theta_min     2.78
_diffrn_reflns_theta_max     27.47
_diffrn_reflns_theta_full     27.47
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     0.995
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -21
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     5523
_reflns_number_gt     5192
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0520
_refine_ls_R_factor_gt     0.0480
_refine_ls_wR_factor_gt     0.1136
_refine_ls_wR_factor_ref     0.1163
_refine_ls_goodness_of_fit_ref     1.130
_refine_ls_restrained_S_all     1.130
_refine_ls_number_reflns     5523
_refine_ls_number_parameters     332
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0477P)²+0.4666P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.334
_refine_diff_density_min     -0.328
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku, 2008)'
_computing_cell_refinement     'CrystalClear (Rigaku, 2008)'
_computing_data_reduction     'CrystalClear (Rigaku, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'Mercury (Macrae et al., 2006)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    S S1 -0.38860(5) 0.41490(4) 0.77513(3) 0.02588(12) Uani d . 1 1 . .
    O O1 0.1455(2) 0.37615(12) 0.99887(8) 0.0390(3) Uani d . 1 1 . .
    H H1 0.2036 0.3798 1.0470 0.059 Uiso calc R 1 1 . .
    O O2 0.1780(2) 0.16194(13) 0.96041(8) 0.0420(3) Uani d . 1 1 . .
    O O3 -0.09373(18) -0.12371(12) 0.64695(8) 0.0350(3) Uani d . 1 1 . .
    O O4 -0.28863(18) -0.04200(13) 0.57227(8) 0.0346(3) Uani d . 1 1 . .
    H H4A -0.2926 -0.1141 0.5327 0.052 Uiso calc R 1 1 . .
    O O5 -0.55084(17) 0.36035(13) 0.80299(9) 0.0374(3) Uani d . 1 1 . .
    O O6 -0.28648(18) 0.54879(12) 0.83184(8) 0.0347(3) Uani d . 1 1 . .
    O O7 -0.42469(17) 0.41121(12) 0.68482(8) 0.0332(3) Uani d . 1 1 . .
    O O8 0.2880(2) 0.24475(14) 0.56382(8) 0.0436(4) Uani d . 1 1 . .
    H H8 0.3854 0.2890 0.5993 0.065 Uiso calc R 1 1 . .
    N N1 0.3505(2) -0.25772(15) 0.60065(10) 0.0338(3) Uani d . 1 1 . .
    N N2 0.9237(2) 0.38403(14) 1.25311(10) 0.0313(3) Uani d . 1 1 . .
    C C1 0.4220(3) -0.37550(19) 0.56160(13) 0.0406(4) Uani d . 1 1 . .
    H H1C 0.3964 -0.4424 0.5918 0.061 Uiso calc R 1 1 . .
    H H1A 0.5552 -0.3472 0.5662 0.061 Uiso calc R 1 1 . .
    H H1B 0.3626 -0.4162 0.5006 0.061 Uiso calc R 1 1 . .
    C C2 0.2606(3) -0.1979(2) 0.54209(12) 0.0401(4) Uani d . 1 1 . .
    H H2B 0.3443 -0.1152 0.5424 0.060 Uiso calc R 1 1 . .
    H H2A 0.1488 -0.1752 0.5610 0.060 Uiso calc R 1 1 . .
    H H2C 0.2280 -0.2631 0.4835 0.060 Uiso calc R 1 1 . .
    C C3 0.4215(2) -0.18111(16) 0.68546(11) 0.0261(3) Uani d . 1 1 . .
    C C4 0.3830(2) -0.05246(17) 0.72159(11) 0.0281(3) Uani d . 1 1 . .
    H H4 0.3044 -0.0190 0.6870 0.034 Uiso calc R 1 1 . .
    C C5 0.4577(2) 0.02533(16) 0.80627(11) 0.0271(3) Uani d . 1 1 . .
    H H5 0.4301 0.1116 0.8288 0.033 Uiso calc R 1 1 . .
    C C6 0.5736(2) -0.02072(16) 0.85963(11) 0.0271(3) Uani d . 1 1 . .
    C C7 0.6059(2) -0.15028(17) 0.82433(11) 0.0297(4) Uani d . 1 1 . .
    H H7 0.6799 -0.1853 0.8599 0.036 Uiso calc R 1 1 . .
    C C8 0.5340(2) -0.22835(16) 0.73985(11) 0.0297(4) Uani d . 1 1 . .
    H H8A 0.5606 -0.3151 0.7180 0.036 Uiso calc R 1 1 . .
    C C9 0.6622(2) 0.05654(17) 0.94810(11) 0.0290(4) Uani d . 1 1 . .
    H H9 0.7296 0.0107 0.9785 0.035 Uiso calc R 1 1 . .
    C C10 0.6608(2) 0.18460(17) 0.99228(11) 0.0296(4) Uani d . 1 1 . .
    H H10 0.5937 0.2334 0.9642 0.036 Uiso calc R 1 1 . .
    C C11 0.7569(2) 0.25224(17) 1.08083(11) 0.0282(3) Uani d . 1 1 . .
    C C12 0.7411(2) 0.38370(18) 1.12496(12) 0.0325(4) Uani d . 1 1 . .
    H H12 0.6721 0.4299 1.0956 0.039 Uiso calc R 1 1 . .
    C C13 0.8239(2) 0.44591(18) 1.20961(12) 0.0333(4) Uani d . 1 1 . .
    H H13 0.8107 0.5347 1.2384 0.040 Uiso calc R 1 1 . .
    C C14 0.9459(3) 0.25904(18) 1.21244(12) 0.0351(4) Uani d . 1 1 . .
    H H14 1.0186 0.2166 1.2432 0.042 Uiso calc R 1 1 . .
    C C15 0.8659(2) 0.19230(17) 1.12795(12) 0.0333(4) Uani d . 1 1 . .
    H H15 0.8840 0.1044 1.1006 0.040 Uiso calc R 1 1 . .
    C C16 1.0116(3) 0.4516(2) 1.34462(12) 0.0421(5) Uani d . 1 1 . .
    H H16B 0.9368 0.5113 1.3731 0.063 Uiso calc R 1 1 . .
    H H16C 1.1346 0.5056 1.3485 0.063 Uiso calc R 1 1 . .
    H H16A 1.0221 0.3828 1.3732 0.063 Uiso calc R 1 1 . .
    C C17 0.1147(2) 0.25092(16) 0.94444(11) 0.0280(3) Uani d . 1 1 . .
    C C18 -0.1751(2) -0.03581(16) 0.64270(10) 0.0256(3) Uani d . 1 1 . .
    C C19 -0.0110(2) 0.23178(16) 0.86173(10) 0.0242(3) Uani d . 1 1 . .
    C C20 -0.1150(2) 0.32637(15) 0.85514(10) 0.0242(3) Uani d . 1 1 . .
    H H20 -0.1007 0.4069 0.9023 0.029 Uiso calc R 1 1 . .
    C C21 -0.2395(2) 0.30264(15) 0.77944(10) 0.0231(3) Uani d . 1 1 . .
    C C22 -0.2594(2) 0.18634(15) 0.70939(10) 0.0241(3) Uani d . 1 1 . .
    H H22 -0.3434 0.1714 0.6574 0.029 Uiso calc R 1 1 . .
    C C23 -0.1550(2) 0.09165(15) 0.71595(10) 0.0236(3) Uani d . 1 1 . .
    C C24 -0.0322(2) 0.11394(16) 0.79225(10) 0.0248(3) Uani d . 1 1 . .
    H H24 0.0373 0.0487 0.7970 0.030 Uiso calc R 1 1 . .
    C C25 0.1596(3) 0.19091(19) 0.60747(12) 0.0368(4) Uani d . 1 1 . .
    H H25A 0.1064 0.0948 0.5753 0.055 Uiso calc R 1 1 . .
    H H25C 0.0616 0.2410 0.6118 0.055 Uiso calc R 1 1 . .
    H H25B 0.2218 0.1996 0.6656 0.055 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    S1 O5 . 1.4427(13) ?
    S1 O6 . 1.4572(12) ?
    S1 O7 . 1.4643(13) ?
    S1 C21 . 1.7801(16) ?
    O1 C17 . 1.325(2) ?
    O1 H1 . 0.8400 ?
    O2 C17 . 1.203(2) ?
    O3 C18 . 1.212(2) ?
    O4 C18 . 1.326(2) ?
    O4 H4A . 0.8400 ?
    O8 C25 . 1.412(2) ?
    O8 H8 . 0.8400 ?
    N1 C3 . 1.375(2) ?
    N1 C1 . 1.455(2) ?
    N1 C2 . 1.456(2) ?
    N2 C13 . 1.345(2) ?
    N2 C14 . 1.347(2) ?
    N2 C16 . 1.473(2) ?
    C1 H1C . 0.9800 ?
    C1 H1A . 0.9800 ?
    C1 H1B . 0.9800 ?
    C2 H2B . 0.9800 ?
    C2 H2A . 0.9800 ?
    C2 H2C . 0.9800 ?
    C3 C8 . 1.406(2) ?
    C3 C4 . 1.414(2) ?
    C4 C5 . 1.380(2) ?
    C4 H4 . 0.9500 ?
    C5 C6 . 1.402(2) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.401(2) ?
    C6 C9 . 1.449(2) ?
    C7 C8 . 1.375(2) ?
    C7 H7 . 0.9500 ?
    C8 H8A . 0.9500 ?
    C9 C10 . 1.340(2) ?
    C9 H9 . 0.9500 ?
    C10 C11 . 1.449(2) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.402(2) ?
    C11 C15 . 1.406(2) ?
    C12 C13 . 1.364(3) ?
    C12 H12 . 0.9500 ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.364(3) ?
    C14 H14 . 0.9500 ?
    C15 H15 . 0.9500 ?
    C16 H16B . 0.9800 ?
    C16 H16C . 0.9800 ?
    C16 H16A . 0.9800 ?
    C17 C19 . 1.493(2) ?
    C18 C23 . 1.494(2) ?
    C19 C20 . 1.393(2) ?
    C19 C24 . 1.394(2) ?
    C20 C21 . 1.388(2) ?
    C20 H20 . 0.9500 ?
    C21 C22 . 1.390(2) ?
    C22 C23 . 1.396(2) ?
    C22 H22 . 0.9500 ?
    C23 C24 . 1.392(2) ?
    C24 H24 . 0.9500 ?
    C25 H25A . 0.9800 ?
    C25 H25C . 0.9800 ?
    C25 H25B . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O5 S1 O6 . . 114.32(8) ?
    O5 S1 O7 . . 113.04(8) ?
    O6 S1 O7 . . 111.46(7) ?
    O5 S1 C21 . . 105.50(7) ?
    O6 S1 C21 . . 106.09(7) ?
    O7 S1 C21 . . 105.58(7) ?
    C17 O1 H1 . . 109.5 ?
    C18 O4 H4A . . 109.5 ?
    C25 O8 H8 . . 109.5 ?
    C3 N1 C1 . . 119.25(15) ?
    C3 N1 C2 . . 119.96(15) ?
    C1 N1 C2 . . 116.88(15) ?
    C13 N2 C14 . . 119.76(16) ?
    C13 N2 C16 . . 120.98(16) ?
    C14 N2 C16 . . 119.25(16) ?
    N1 C1 H1C . . 109.5 ?
    N1 C1 H1A . . 109.5 ?
    H1C C1 H1A . . 109.5 ?
    N1 C1 H1B . . 109.5 ?
    H1C C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    N1 C2 H2B . . 109.5 ?
    N1 C2 H2A . . 109.5 ?
    H2B C2 H2A . . 109.5 ?
    N1 C2 H2C . . 109.5 ?
    H2B C2 H2C . . 109.5 ?
    H2A C2 H2C . . 109.5 ?
    N1 C3 C8 . . 121.18(15) ?
    N1 C3 C4 . . 121.36(15) ?
    C8 C3 C4 . . 117.45(15) ?
    C5 C4 C3 . . 121.16(15) ?
    C5 C4 H4 . . 119.4 ?
    C3 C4 H4 . . 119.4 ?
    C4 C5 C6 . . 121.17(15) ?
    C4 C5 H5 . . 119.4 ?
    C6 C5 H5 . . 119.4 ?
    C7 C6 C5 . . 117.35(15) ?
    C7 C6 C9 . . 118.11(15) ?
    C5 C6 C9 . . 124.54(15) ?
    C8 C7 C6 . . 122.09(16) ?
    C8 C7 H7 . . 119.0 ?
    C6 C7 H7 . . 119.0 ?
    C7 C8 C3 . . 120.72(15) ?
    C7 C8 H8A . . 119.6 ?
    C3 C8 H8A . . 119.6 ?
    C10 C9 C6 . . 128.01(16) ?
    C10 C9 H9 . . 116.0 ?
    C6 C9 H9 . . 116.0 ?
    C9 C10 C11 . . 123.11(16) ?
    C9 C10 H10 . . 118.4 ?
    C11 C10 H10 . . 118.4 ?
    C12 C11 C15 . . 116.21(16) ?
    C12 C11 C10 . . 120.18(16) ?
    C15 C11 C10 . . 123.60(16) ?
    C13 C12 C11 . . 120.71(17) ?
    C13 C12 H12 . . 119.6 ?
    C11 C12 H12 . . 119.6 ?
    N2 C13 C12 . . 121.34(16) ?
    N2 C13 H13 . . 119.3 ?
    C12 C13 H13 . . 119.3 ?
    N2 C14 C15 . . 121.23(17) ?
    N2 C14 H14 . . 119.4 ?
    C15 C14 H14 . . 119.4 ?
    C14 C15 C11 . . 120.71(16) ?
    C14 C15 H15 . . 119.6 ?
    C11 C15 H15 . . 119.6 ?
    N2 C16 H16B . . 109.5 ?
    N2 C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    N2 C16 H16A . . 109.5 ?
    H16B C16 H16A . . 109.5 ?
    H16C C16 H16A . . 109.5 ?
    O2 C17 O1 . . 123.90(16) ?
    O2 C17 C19 . . 123.72(15) ?
    O1 C17 C19 . . 112.37(13) ?
    O3 C18 O4 . . 123.48(15) ?
    O3 C18 C23 . . 123.32(15) ?
    O4 C18 C23 . . 113.19(14) ?
    C20 C19 C24 . . 119.86(15) ?
    C20 C19 C17 . . 120.65(14) ?
    C24 C19 C17 . . 119.37(14) ?
    C21 C20 C19 . . 119.82(14) ?
    C21 C20 H20 . . 120.1 ?
    C19 C20 H20 . . 120.1 ?
    C20 C21 C22 . . 120.65(14) ?
    C20 C21 S1 . . 119.61(12) ?
    C22 C21 S1 . . 119.54(12) ?
    C21 C22 C23 . . 119.52(15) ?
    C21 C22 H22 . . 120.2 ?
    C23 C22 H22 . . 120.2 ?
    C24 C23 C22 . . 120.01(14) ?
    C24 C23 C18 . . 118.89(14) ?
    C22 C23 C18 . . 121.09(14) ?
    C23 C24 C19 . . 120.12(15) ?
    C23 C24 H24 . . 119.9 ?
    C19 C24 H24 . . 119.9 ?
    O8 C25 H25A . . 109.5 ?
    O8 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    O8 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    H25C C25 H25B . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C1 N1 C3 C8 . . . . -12.7(3) ?
    C2 N1 C3 C8 . . . . -169.80(16) ?
    C1 N1 C3 C4 . . . . 167.82(16) ?
    C2 N1 C3 C4 . . . . 10.8(3) ?
    N1 C3 C4 C5 . . . . -178.64(15) ?
    C8 C3 C4 C5 . . . . 1.9(2) ?
    C3 C4 C5 C6 . . . . -0.3(3) ?
    C4 C5 C6 C7 . . . . -1.9(2) ?
    C4 C5 C6 C9 . . . . 177.82(16) ?
    C5 C6 C7 C8 . . . . 2.5(2) ?
    C9 C6 C7 C8 . . . . -177.17(15) ?
    C6 C7 C8 C3 . . . . -1.0(3) ?
    N1 C3 C8 C7 . . . . 179.29(16) ?
    C4 C3 C8 C7 . . . . -1.2(2) ?
    C7 C6 C9 C10 . . . . 174.95(17) ?
    C5 C6 C9 C10 . . . . -4.7(3) ?
    C6 C9 C10 C11 . . . . -179.27(15) ?
    C9 C10 C11 C12 . . . . -176.31(16) ?
    C9 C10 C11 C15 . . . . 2.3(3) ?
    C15 C11 C12 C13 . . . . -1.9(3) ?
    C10 C11 C12 C13 . . . . 176.88(16) ?
    C14 N2 C13 C12 . . . . 1.1(3) ?
    C16 N2 C13 C12 . . . . -179.62(17) ?
    C11 C12 C13 N2 . . . . 0.5(3) ?
    C13 N2 C14 C15 . . . . -1.2(3) ?
    C16 N2 C14 C15 . . . . 179.51(17) ?
    N2 C14 C15 C11 . . . . -0.3(3) ?
    C12 C11 C15 C14 . . . . 1.8(3) ?
    C10 C11 C15 C14 . . . . -176.93(16) ?
    O2 C17 C19 C20 . . . . 163.92(17) ?
    O1 C17 C19 C20 . . . . -14.8(2) ?
    O2 C17 C19 C24 . . . . -12.2(3) ?
    O1 C17 C19 C24 . . . . 169.03(15) ?
    C24 C19 C20 C21 . . . . 0.2(2) ?
    C17 C19 C20 C21 . . . . -175.99(15) ?
    C19 C20 C21 C22 . . . . -1.2(2) ?
    C19 C20 C21 S1 . . . . 173.64(12) ?
    O5 S1 C21 C20 . . . . -89.52(14) ?
    O6 S1 C21 C20 . . . . 32.14(15) ?
    O7 S1 C21 C20 . . . . 150.54(13) ?
    O5 S1 C21 C22 . . . . 85.32(14) ?
    O6 S1 C21 C22 . . . . -153.02(13) ?
    O7 S1 C21 C22 . . . . -34.61(14) ?
    C20 C21 C22 C23 . . . . 1.0(2) ?
    S1 C21 C22 C23 . . . . -173.75(12) ?
    C21 C22 C23 C24 . . . . 0.0(2) ?
    C21 C22 C23 C18 . . . . 178.81(14) ?
    O3 C18 C23 C24 . . . . 2.3(2) ?
    O4 C18 C23 C24 . . . . -176.68(14) ?
    O3 C18 C23 C22 . . . . -176.44(16) ?
    O4 C18 C23 C22 . . . . 4.5(2) ?
    C22 C23 C24 C19 . . . . -1.0(2) ?
    C18 C23 C24 C19 . . . . -179.82(14) ?
    C20 C19 C24 C23 . . . . 0.9(2) ?
    C17 C19 C24 C23 . . . . 177.13(15) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1 O6 2_567 0.84 1.89 2.6796(18) 155.5
    O4 H4A O8 2_556 0.84 1.79 2.6156(18) 168.3
    O8 H8 O7 1_655 0.84 1.86 2.6897(18) 169.2
data_global
_journal_date_recd_electronic     2011-10-28
_journal_date_accepted     2011-12-18
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      2
_journal_page_first     o281
_journal_page_last     o281
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536811054419
_journal_coeditor_code     EZ2270
_publ_contact_author_name     'Zhou Yang'
_publ_contact_author_address
;
Department of Materials Physics and Chemistry
School of Materials Science and Engineering
University of Science and Technology Beijing
Beijing 100083
People's Republic of China
;
_publ_contact_author_email     'yangz@ustb.edu.cn'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
4-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-methylpyridinium
3,5-dicarboxybenzenesulfonate methanol monosolvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Li, Liang' .
;
Department of Materials Physics and Chemistry
School of Materials Science and Engineering
University of Science and Technology Beijing
Beijing 100083
People's Republic of China
;
    'Cui, Huijuan' .
;
Department of Materials Physics and Chemistry
School of Materials Science and Engineering
University of Science and Technology Beijing
Beijing 100083
People's Republic of China
;
    'Yang, Zhou' .
;
Department of Materials Physics and Chemistry
School of Materials Science and Engineering
University of Science and Technology Beijing
Beijing 100083
People's Republic of China
;
    'Tao, Xutang' .
;
State Key Laboratory of Crystal Materials
Shandong University
Jinan, 250100
People's Republic of China
;
    'Yang, Huai' .
;
Department of Materials Physics and Chemistry
School of Materials Science and Engineering
University of Science and Technology Beijing
Beijing 100083
People's Republic of China
;
