##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 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. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
N¹,N¹-Dimethylpropane-1,2-diaminium
bis(6-carboxypyridine-2-carboxylate) monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C5 H16 N2 2+, 2(C7 H4 N O4 -), H2 O'
_chemical_formula_sum     'C19 H26 N4 O9'
_chemical_formula_iupac     'C5 H16 N2 2+, 2C7 H4 N O4 -, H2 O'
_chemical_formula_weight     454.44
_chemical_melting_point     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
_cell_length_a     11.826(8)
_cell_length_b     13.376(8)
_cell_length_c     13.479(8)
_cell_angle_alpha     90.00000
_cell_angle_beta     90.00000
_cell_angle_gamma     90.00000
_cell_volume     2132.(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     296(2)
_cell_measurement_theta_min     2.15
_cell_measurement_theta_max     27.00
_cell_measurement_temperature     293(2)
_exptl_crystal_description     irregular
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.42
_exptl_crystal_size_mid     0.38
_exptl_crystal_size_min     0.22
_exptl_crystal_density_diffrn     1.416
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     960
_exptl_absorpt_coefficient_mu     0.114
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2008)'
_exptl_absorpt_correction_T_min     0.7079
_exptl_absorpt_correction_T_max     0.7456
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(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     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     70173
_diffrn_reflns_av_R_equivalents     0.0248
_diffrn_reflns_av_sigmaI/netI     0.0080
_diffrn_reflns_theta_min     2.15
_diffrn_reflns_theta_max     27.00
_diffrn_reflns_theta_full     27.00
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -15
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_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 >
2σ(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     4650
_reflns_number_gt     4509
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0297
_refine_ls_R_factor_gt     0.0286
_refine_ls_wR_factor_gt     0.0825
_refine_ls_wR_factor_ref     0.0838
_refine_ls_goodness_of_fit_ref     1.067
_refine_ls_restrained_S_all     1.068
_refine_ls_number_reflns     4650
_refine_ls_number_parameters     298
_refine_ls_number_restraints     3
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0516P)²+0.2616P] 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     0.226
_refine_diff_density_min     -0.181
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0064(13)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details     ?
_refine_ls_abs_structure_Flack     ?
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'
_computing_data_collection     'APEX2 (Bruker, 2008)'
_computing_cell_refinement     'SAINT (Bruker, 2008)'
_computing_data_reduction     'SAINT (Bruker, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (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_disorder_assembly
    _atom_site_disorder_group
    C C1 0.82378(16) 0.49387(15) 0.59189(15) 0.0608(4) Uani d . 1 . .
    H H10A 0.7917 0.5578 0.6078 0.091 Uiso calc R 1 . .
    H H10B 0.8457 0.4929 0.5233 0.091 Uiso calc R 1 . .
    H H10C 0.8890 0.4823 0.6328 0.091 Uiso calc R 1 . .
    C C2 0.78465(16) 0.31373(12) 0.58604(14) 0.0589(4) Uani d . 1 . .
    H H20A 0.7278 0.2639 0.5979 0.088 Uiso calc R 1 . .
    H H20B 0.8493 0.3005 0.6271 0.088 Uiso calc R 1 . .
    H H20C 0.8067 0.3119 0.5175 0.088 Uiso calc R 1 . .
    C C3 0.63379(12) 0.43601(10) 0.55191(10) 0.0410(3) Uani d . 1 . .
    H H3B 0.6481 0.4194 0.4830 0.049 Uiso calc R 1 . .
    H H3C 0.6194 0.5073 0.5552 0.049 Uiso calc R 1 . .
    C C4 0.52821(12) 0.38176(9) 0.58465(9) 0.0352(3) Uani d . 1 . .
    H H4 0.5460 0.3112 0.5963 0.042 Uiso calc R 1 . .
    C C5 0.44060(16) 0.38990(14) 0.50382(12) 0.0557(4) Uani d . 1 . .
    H H5A 0.3731 0.3555 0.5239 0.084 Uiso calc R 1 . .
    H H5B 0.4694 0.3603 0.4440 0.084 Uiso calc R 1 . .
    H H5C 0.4235 0.4591 0.4921 0.084 Uiso calc R 1 . .
    C C6 0.51400(11) 0.21400(9) 0.86340(10) 0.0361(3) Uani d . 1 . .
    C C7 0.44510(11) 0.29707(9) 0.91060(9) 0.0323(2) Uani d . 1 . .
    C C8 0.34944(14) 0.27536(10) 0.96579(11) 0.0469(3) Uani d . 1 . .
    H H8 0.3263 0.2095 0.9746 0.056 Uiso calc R 1 . .
    C C9 0.28930(15) 0.35256(12) 1.00737(13) 0.0547(4) Uani d . 1 . .
    H H9 0.2244 0.3398 1.0442 0.066 Uiso calc R 1 . .
    C C10 0.32657(12) 0.44927(11) 0.99364(11) 0.0433(3) Uani d . 1 . .
    H H10 0.2881 0.5029 1.0218 0.052 Uiso calc R 1 . .
    C C11 0.42230(10) 0.46459(9) 0.93714(9) 0.0309(2) Uani d . 1 . .
    C C12 0.46436(11) 0.56979(9) 0.91995(9) 0.0347(3) Uani d . 1 . .
    C C13 0.74414(11) 0.71223(9) 0.80029(10) 0.0360(3) Uani d . 1 . .
    C C14 0.81762(10) 0.79792(9) 0.76580(10) 0.0327(2) Uani d . 1 . .
    C C15 0.92660(12) 0.77789(11) 0.73243(12) 0.0446(3) Uani d . 1 . .
    H H15 0.9531 0.7125 0.7291 0.054 Uiso calc R 1 . .
    C C16 0.99431(12) 0.85656(12) 0.70449(13) 0.0490(4) Uani d . 1 . .
    H H16 1.0672 0.8452 0.6812 0.059 Uiso calc R 1 . .
    C C17 0.95259(11) 0.95225(11) 0.71152(10) 0.0402(3) Uani d . 1 . .
    H H17 0.9975 1.0069 0.6951 0.048 Uiso calc R 1 . .
    C C18 0.84204(10) 0.96563(9) 0.74366(9) 0.0315(2) Uani d . 1 . .
    C C19 0.79612(10) 1.07016(9) 0.75010(9) 0.0330(2) Uani d . 1 . .
    N N1 0.73847(10) 0.41412(9) 0.61018(8) 0.0399(3) Uani d . 1 . .
    H H1 0.7203 0.4150 0.6758 0.048 Uiso calc R 1 . .
    N N2 0.47949(9) 0.42609(8) 0.67685(8) 0.0340(2) Uani d . 1 . .
    H H1A 0.5298 0.4217 0.7258 0.051 Uiso calc R 1 . .
    H H2A 0.4171 0.3930 0.6936 0.051 Uiso calc R 1 . .
    H H3A 0.4626 0.4900 0.6661 0.051 Uiso calc R 1 . .
    N N3 0.48126(8) 0.39046(7) 0.89568(7) 0.0291(2) Uani d . 1 . .
    N N4 0.77430(8) 0.89011(7) 0.76994(7) 0.0295(2) Uani d . 1 . .
    O O1 0.59431(8) 0.23905(6) 0.80781(8) 0.0420(2) Uani d . 1 . .
    O O2 0.48705(13) 0.12753(7) 0.88430(10) 0.0636(4) Uani d . 1 . .
    O O3 0.54684(9) 0.57393(7) 0.85809(8) 0.0454(2) Uani d . 1 . .
    H H3 0.5668 0.6322 0.8511 0.068 Uiso calc R 1 . .
    O O4 0.42263(12) 0.63994(8) 0.96310(10) 0.0592(3) Uani d . 1 . .
    O O5 0.64280(8) 0.73404(6) 0.82184(8) 0.0417(2) Uani d . 1 . .
    O O6 0.78683(10) 0.62868(7) 0.80691(11) 0.0570(3) Uani d . 1 . .
    O O7 0.68767(8) 1.07388(7) 0.76530(8) 0.0428(2) Uani d . 1 . .
    H H7 0.6673 1.1324 0.7681 0.064 Uiso calc R 1 . .
    O O8 0.85621(10) 1.14190(8) 0.74214(11) 0.0578(3) Uani d . 1 . .
    O O9 0.72243(10) 0.42389(9) 0.81056(8) 0.0489(3) Uani d D 1 . .
    H H9A 0.6703(19) 0.3950(18) 0.835(2) 0.099(9) Uiso d D 1 . .
    H H9B 0.711(3) 0.4830(14) 0.827(2) 0.115(11) Uiso d D 1 . .
_geom_special_details
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell s.u.'s are taken into
account individually in the estimation of s.u.'s in distances, angles and
torsion angles; correlations between s.u.'s in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'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
    C1 N1 . 1.489(2) ?
    C1 H10A . 0.9600 ?
    C1 H10B . 0.9600 ?
    C1 H10C . 0.9600 ?
    C2 N1 . 1.4857(18) ?
    C2 H20A . 0.9600 ?
    C2 H20B . 0.9600 ?
    C2 H20C . 0.9600 ?
    C3 N1 . 1.4950(19) ?
    C3 C4 . 1.5101(18) ?
    C3 H3B . 0.9700 ?
    C3 H3C . 0.9700 ?
    C4 N2 . 1.4926(15) ?
    C4 C5 . 1.507(2) ?
    C4 H4 . 0.9800 ?
    C5 H5A . 0.9600 ?
    C5 H5B . 0.9600 ?
    C5 H5C . 0.9600 ?
    C6 O2 . 1.2323(16) ?
    C6 O1 . 1.2553(16) ?
    C6 C7 . 1.5177(17) ?
    C7 N3 . 1.3356(15) ?
    C7 C8 . 1.3848(18) ?
    C8 C9 . 1.373(2) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.379(2) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.3798(18) ?
    C10 H10 . 0.9300 ?
    C11 N3 . 1.3347(15) ?
    C11 C12 . 1.5104(16) ?
    C12 O4 . 1.2094(16) ?
    C12 O3 . 1.2843(16) ?
    C13 O6 . 1.2296(16) ?
    C13 O5 . 1.2672(16) ?
    C13 C14 . 1.5117(17) ?
    C14 N4 . 1.3364(15) ?
    C14 C15 . 1.3910(18) ?
    C15 C16 . 1.375(2) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.375(2) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.3889(17) ?
    C17 H17 . 0.9300 ?
    C18 N4 . 1.3371(15) ?
    C18 C19 . 1.5025(16) ?
    C19 O8 . 1.1988(16) ?
    C19 O7 . 1.2996(15) ?
    N1 H1 . 0.9100 ?
    N2 H1A . 0.8900 ?
    N2 H2A . 0.8900 ?
    N2 H3A . 0.8900 ?
    O3 H3 . 0.8200 ?
    O7 H7 . 0.8200 ?
    O9 H9A . 0.799(17) ?
    O9 H9B . 0.830(17) ?
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
    N1 C1 H10A . . 109.5 ?
    N1 C1 H10B . . 109.5 ?
    H10A C1 H10B . . 109.5 ?
    N1 C1 H10C . . 109.5 ?
    H10A C1 H10C . . 109.5 ?
    H10B C1 H10C . . 109.5 ?
    N1 C2 H20A . . 109.5 ?
    N1 C2 H20B . . 109.5 ?
    H20A C2 H20B . . 109.5 ?
    N1 C2 H20C . . 109.5 ?
    H20A C2 H20C . . 109.5 ?
    H20B C2 H20C . . 109.5 ?
    N1 C3 C4 . . 115.91(11) ?
    N1 C3 H3B . . 108.3 ?
    C4 C3 H3B . . 108.3 ?
    N1 C3 H3C . . 108.3 ?
    C4 C3 H3C . . 108.3 ?
    H3B C3 H3C . . 107.4 ?
    N2 C4 C5 . . 107.93(12) ?
    N2 C4 C3 . . 111.82(11) ?
    C5 C4 C3 . . 108.80(11) ?
    N2 C4 H4 . . 109.4 ?
    C5 C4 H4 . . 109.4 ?
    C3 C4 H4 . . 109.4 ?
    C4 C5 H5A . . 109.5 ?
    C4 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C4 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    O2 C6 O1 . . 125.64(13) ?
    O2 C6 C7 . . 116.91(12) ?
    O1 C6 C7 . . 117.45(10) ?
    N3 C7 C8 . . 122.59(12) ?
    N3 C7 C6 . . 116.73(11) ?
    C8 C7 C6 . . 120.68(11) ?
    C9 C8 C7 . . 118.99(12) ?
    C9 C8 H8 . . 120.5 ?
    C7 C8 H8 . . 120.5 ?
    C8 C9 C10 . . 119.01(13) ?
    C8 C9 H9 . . 120.5 ?
    C10 C9 H9 . . 120.5 ?
    C9 C10 C11 . . 118.40(12) ?
    C9 C10 H10 . . 120.8 ?
    C11 C10 H10 . . 120.8 ?
    N3 C11 C10 . . 123.33(11) ?
    N3 C11 C12 . . 117.12(10) ?
    C10 C11 C12 . . 119.55(11) ?
    O4 C12 O3 . . 126.07(13) ?
    O4 C12 C11 . . 120.98(12) ?
    O3 C12 C11 . . 112.94(10) ?
    O6 C13 O5 . . 125.52(13) ?
    O6 C13 C14 . . 118.39(12) ?
    O5 C13 C14 . . 116.08(11) ?
    N4 C14 C15 . . 123.12(12) ?
    N4 C14 C13 . . 117.80(11) ?
    C15 C14 C13 . . 119.08(11) ?
    C16 C15 C14 . . 118.73(13) ?
    C16 C15 H15 . . 120.6 ?
    C14 C15 H15 . . 120.6 ?
    C15 C16 C17 . . 118.99(13) ?
    C15 C16 H16 . . 120.5 ?
    C17 C16 H16 . . 120.5 ?
    C16 C17 C18 . . 118.63(12) ?
    C16 C17 H17 . . 120.7 ?
    C18 C17 H17 . . 120.7 ?
    N4 C18 C17 . . 123.32(12) ?
    N4 C18 C19 . . 118.11(10) ?
    C17 C18 C19 . . 118.57(11) ?
    O8 C19 O7 . . 124.64(12) ?
    O8 C19 C18 . . 121.69(11) ?
    O7 C19 C18 . . 113.67(10) ?
    C2 N1 C1 . . 111.23(13) ?
    C2 N1 C3 . . 111.49(12) ?
    C1 N1 C3 . . 109.50(12) ?
    C2 N1 H1 . . 108.2 ?
    C1 N1 H1 . . 108.2 ?
    C3 N1 H1 . . 108.2 ?
    C4 N2 H1A . . 109.5 ?
    C4 N2 H2A . . 109.5 ?
    H1A N2 H2A . . 109.5 ?
    C4 N2 H3A . . 109.5 ?
    H1A N2 H3A . . 109.5 ?
    H2A N2 H3A . . 109.5 ?
    C11 N3 C7 . . 117.68(10) ?
    C14 N4 C18 . . 117.15(10) ?
    C12 O3 H3 . . 109.5 ?
    C19 O7 H7 . . 109.5 ?
    H9A O9 H9B . . 103(3) ?
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
    N1 C3 C4 N2 . . . . 75.97(14) ?
    N1 C3 C4 C5 . . . . -164.91(12) ?
    O2 C6 C7 N3 . . . . 173.61(14) ?
    O1 C6 C7 N3 . . . . -5.34(18) ?
    O2 C6 C7 C8 . . . . -6.7(2) ?
    O1 C6 C7 C8 . . . . 174.39(14) ?
    N3 C7 C8 C9 . . . . -0.3(2) ?
    C6 C7 C8 C9 . . . . 179.99(14) ?
    C7 C8 C9 C10 . . . . -0.6(3) ?
    C8 C9 C10 C11 . . . . 1.0(3) ?
    C9 C10 C11 N3 . . . . -0.5(2) ?
    C9 C10 C11 C12 . . . . 179.35(14) ?
    N3 C11 C12 O4 . . . . -172.38(13) ?
    C10 C11 C12 O4 . . . . 7.7(2) ?
    N3 C11 C12 O3 . . . . 6.62(16) ?
    C10 C11 C12 O3 . . . . -173.29(12) ?
    O6 C13 C14 N4 . . . . -172.34(13) ?
    O5 C13 C14 N4 . . . . 6.38(18) ?
    O6 C13 C14 C15 . . . . 7.0(2) ?
    O5 C13 C14 C15 . . . . -174.25(13) ?
    N4 C14 C15 C16 . . . . 1.6(2) ?
    C13 C14 C15 C16 . . . . -177.73(14) ?
    C14 C15 C16 C17 . . . . 0.7(2) ?
    C15 C16 C17 C18 . . . . -2.0(2) ?
    C16 C17 C18 N4 . . . . 1.2(2) ?
    C16 C17 C18 C19 . . . . -179.26(13) ?
    N4 C18 C19 O8 . . . . 168.74(14) ?
    C17 C18 C19 O8 . . . . -10.81(19) ?
    N4 C18 C19 O7 . . . . -10.92(16) ?
    C17 C18 C19 O7 . . . . 169.53(12) ?
    C4 C3 N1 C2 . . . . 74.31(15) ?
    C4 C3 N1 C1 . . . . -162.17(12) ?
    C10 C11 N3 C7 . . . . -0.30(18) ?
    C12 C11 N3 C7 . . . . 179.80(11) ?
    C8 C7 N3 C11 . . . . 0.73(19) ?
    C6 C7 N3 C11 . . . . -179.55(11) ?
    C15 C14 N4 C18 . . . . -2.43(19) ?
    C13 C14 N4 C18 . . . . 176.91(11) ?
    C17 C18 N4 C14 . . . . 1.00(18) ?
    C19 C18 N4 C14 . . . . -178.52(11) ?
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
    _geom_hbond_publ_flag
    N1 H1 O9 . 0.9100 1.8200 2.711(2) 165 yes
    N2 H1A O9 . 0.8900 2.5500 3.392(3) 158 yes
    N2 H1A N3 . 0.8900 2.4000 2.988(2) 124 yes
    N2 H2A O5 4_646 0.8900 2.2500 2.948(2) 135 yes
    N2 H2A N4 4_646 0.8900 2.3200 3.123(3) 151 yes
    O3 H3 O5 . 0.8200 1.6800 2.473(2) 162 yes
    N2 H3A O2 4_656 0.8900 2.0500 2.845(2) 148 yes
    N2 H3A O7 4_646 0.8900 2.3000 2.902(2) 125 yes
    O7 H7 O1 1_565 0.8200 1.7500 2.535(2) 159 yes
    O9 H9A O1 . 0.80(2) 2.30(2) 2.900(2) 132(2) yes
    O9 H9A N3 . 0.80(2) 2.38(2) 3.107(3) 152(2) yes
    O9 H9B O3 . 0.83(2) 2.33(3) 2.958(3) 133(3) yes
    O9 H9B O6 . 0.83(2) 2.16(2) 2.844(2) 139(3) yes
    C3 H3B O6 2_664 0.9700 2.5800 3.541(3) 172.00 yes
    C3 H3C O2 4_656 0.9700 2.2000 3.057(3) 147.00 yes
    C4 H4 O4 4_646 0.9800 2.4500 3.349(3) 152.00 yes
    C15 H15 O8 4_746 0.9300 2.4800 3.166(3) 131.00 yes
    C2 H20A O4 4_646 0.9600 2.5700 3.443(3) 152.00 yes
data_global
_journal_date_recd_electronic     2011-02-17
_journal_date_accepted     2011-03-10
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      4
_journal_page_first     o932
_journal_page_last     o933
_journal_paper_category     QO
_journal_coeditor_code     VM2081
_publ_contact_author_name     'Hossein Aghabozorg'
_publ_contact_author_address
;
Faculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran
;
_publ_contact_author_email     'haghabozorg@yahoo.com'
_publ_contact_author_fax     '+9821-88820993'
_publ_contact_author_phone     '+9821-88848949'
_publ_section_title
;
N¹,N¹-Dimethylpropane-1,2-diaminium
bis(6-carboxypyridine-2-carboxylate) monohydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Aghabozorg, Hossein' ?
;
Faculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
    'Foroughian, Mahsa' .
;
Faculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran,
Iran
;
    'Foroumadi, Alireza' .
;
Drug Design and Development Research Center,
Tehran University of Medical Sciences, Tehran, Iran
;
    'Bruno, Giuseppe' .
;
Dipartimento di Chimica Inorganica, Vill. S. Agata, Salita Sperone 31,
Universita di Messina, 98166 Messina, Italy
;
    'Amiri Rudbari, Hadi' .
;
Dipartimento di Chimica Inorganica, Vill. S. Agata, Salita Sperone 31,
Universita di Messina, 98166 Messina, Italy
;
