data_2202232
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  o586
_journal_page_last  o588
_publ_section_title
;
N,N-Dimethylbiguanidium nitrate
;
loop_
_publ_author_name
  'Zhu, Miaoli'
  'Lu, Liping'
  'Yang, Pin'
_chemical_name_common  'N,N-dimethylbiguanidium nitrate'
_chemical_formula_moiety  'C4 H12 N5 1+, N O3 1-'
_chemical_formula_sum  'C4 H12 N6 O3'
_chemical_formula_iupac  'C4 H12 N5 1+, N O3 1-'
_chemical_formula_weight  192.20
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  7.204(3)
_cell_length_b  7.534(3)
_cell_length_c  8.821(4)
_cell_angle_alpha  78.109(5)
_cell_angle_beta  73.979(6)
_cell_angle_gamma  85.353(6)
_cell_volume  450.1(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  184(2)
_exptl_crystal_density_diffrn  1.418
_diffrn_ambient_temperature  184(2)
loop_
_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
_atom_site_type_symbol
  C1 0.3203(3) 0.1619(3) 0.7195(3) 0.0232(6) Uani d . 1 . . C
  C2 0.3318(4) 0.2505(3) 0.9550(3) 0.0236(6) Uani d . 1 . . C
  C3 0.2488(5) 0.0584(4) 0.4995(3) 0.0315(7) Uani d . 1 . . C
  C4 0.1365(6) -0.1112(4) 0.7791(4) 0.0477(9) Uani d . 1 . . C
  N1 0.2468(3) 0.0374(3) 0.6676(2) 0.0251(5) Uani d . 1 . . N
  N2 0.3802(3) 0.3163(3) 0.6177(3) 0.0290(6) Uani d . 1 . . N
  N3 0.3490(3) 0.1233(2) 0.8670(2) 0.0262(5) Uani d . 1 . . N
  N4 0.2262(3) 0.4036(3) 0.9364(3) 0.0309(6) Uani d . 1 . . N
  N5 0.4182(3) 0.2203(3) 1.0727(3) 0.0342(6) Uani d . 1 . . N
  N6 0.1893(3) 0.5910(3) 0.3001(3) 0.0316(6) Uani d . 1 . . N
  O1 0.3340(3) 0.4826(2) 0.2927(2) 0.0312(5) Uani d . 1 . . O
  O2 0.1352(3) 0.6691(3) 0.4143(3) 0.0542(6) Uani d . 1 . . O
  O3 0.1053(3) 0.6168(3) 0.1917(2) 0.0534(6) Uani d . 1 . . O
  H21 0.347(4) 0.357(4) 0.529(4) 0.051(3) Uiso d . 1 . . H
  H22 0.451(4) 0.388(4) 0.646(3) 0.051(3) Uiso d . 1 . . H
  H41 0.219(4) 0.468(4) 1.005(4) 0.051(3) Uiso d . 1 . . H
  H42 0.151(5) 0.418(4) 0.868(4) 0.051(3) Uiso d . 1 . . H
  H51 0.499(4) 0.123(4) 1.084(3) 0.051(3) Uiso d . 1 . . H
  H52 0.401(4) 0.294(4) 1.138(4) 0.051(3) Uiso d . 1 . . H
  H3A 0.368(5) 0.110(4) 0.435(4) 0.051(3) Uiso d . 1 . . H
  H4A 0.006(5) -0.095(4) 0.782(4) 0.051(3) Uiso d . 1 . . H
  H3B 0.147(4) 0.141(4) 0.472(3) 0.051(3) Uiso d . 1 . . H
  H4B 0.170(4) -0.224(4) 0.745(3) 0.051(3) Uiso d . 1 . . H
  H3C 0.231(4) -0.060(4) 0.476(3) 0.051(3) Uiso d . 1 . . H
  H4C 0.146(4) -0.119(4) 0.885(4) 0.051(3) Uiso d . 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  C1 0.0173(13) 0.0265(13) 0.0250(13) 0.0027(11) -0.0048(11) -0.0056(10)
  C2 0.0249(14) 0.0258(13) 0.0191(12) -0.0013(11) -0.0055(11) -0.0025(10)
  C3 0.0318(17) 0.0356(16) 0.0318(15) 0.0009(13) -0.0132(13) -0.0113(12)
  C4 0.065(2) 0.0401(18) 0.0394(18) -0.0224(18) -0.0158(18) -0.0008(14)
  N1 0.0258(12) 0.0255(11) 0.0256(11) -0.0022(9) -0.0083(9) -0.0059(9)
  N2 0.0345(14) 0.0287(12) 0.0260(12) -0.0060(10) -0.0142(11) -0.0001(9)
  N3 0.0320(13) 0.0250(11) 0.0242(11) 0.0030(9) -0.0126(10) -0.0052(8)
  N4 0.0342(14) 0.0313(13) 0.0323(13) 0.0088(10) -0.0159(11) -0.0118(10)
  N5 0.0455(16) 0.0329(13) 0.0322(13) 0.0131(11) -0.0219(12) -0.0141(10)
  N6 0.0275(13) 0.0372(13) 0.0345(13) 0.0011(11) -0.0112(11) -0.0135(10)
  O1 0.0291(10) 0.0319(10) 0.0367(11) 0.0084(8) -0.0137(8) -0.0126(8)
  O2 0.0514(14) 0.0640(14) 0.0607(14) 0.0165(11) -0.0200(12) -0.0422(12)
  O3 0.0410(13) 0.0811(16) 0.0530(13) 0.0201(11) -0.0317(11) -0.0286(11)
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 . 1.327(3) y
  C1 N2 . 1.335(3) y
  C1 N3 . 1.343(3) y
  C2 N5 . 1.324(3) y
  C2 N3 . 1.331(3) y
  C2 N4 . 1.336(3) y
  C3 N1 . 1.455(3) ?
  C3 H3A . 0.95(3) ?
  C3 H3B . 0.98(3) ?
  C3 H3C . 0.98(3) ?
  C4 N1 . 1.453(4) ?
  C4 H4A . 0.93(3) ?
  C4 H4B . 0.95(3) ?
  C4 H4C . 0.95(3) ?
  N2 H21 . 0.87(3) ?
  N2 H22 . 0.89(3) ?
  N4 H41 . 0.84(3) ?
  N4 H42 . 0.90(3) ?
  N5 H51 . 0.91(3) ?
  N5 H52 . 0.85(3) ?
  N6 O2 . 1.226(3) ?
  N6 O3 . 1.241(3) ?
  N6 O1 . 1.266(3) ?