data_2010255 _journal_name_full 'Acta Crystallographica' _journal_year 1994 _journal_volume C50 _journal_page_first 1974 _journal_page_last 1976 _publ_section_title ; Aminoguanidinium Nitrate ; loop_ _publ_author_name 'Akella, Annapoorna' 'Keszler, Douglas A.' _chemical_formula_moiety 'C H7 N4 1+, N O3 1-' _chemical_formula_sum 'C H7 N5 O3' _chemical_formula_weight 137.10 _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 7.3410(10) _cell_length_b 7.722(2) _cell_length_c 6.0240(10) _cell_angle_alpha 110.47(2) _cell_angle_beta 102.64(2) _cell_angle_gamma 104.87(2) _cell_volume 290.70(10) _cell_formula_units_Z 2 _cell_measurement_temperature 296 _exptl_crystal_density_diffrn 1.566 _refine_ls_R_factor_obs 0.044 _refine_ls_wR_factor_obs 0.054 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z O1 0.8178(2) 0.4752(2) 0.2681(2) O2 0.6710(2) 0.4385(2) -0.1057(2) O3 0.5573(2) 0.2153(2) 0.0154(3) N1 0.0380(2) -0.1698(2) -0.8063(3) N2 0.2316(2) -0.1301(2) -0.4248(3) N3 0.2980(2) 0.1237(2) -0.5409(3) N4 0.2462(2) 0.2045(2) -0.7091(3) N5 0.6820(2) 0.3772(2) 0.0583(2) C1 0.1875(2) -0.0603(2) -0.5925(3) H1 -0.036(3) -0.286(3) -0.834(4) H2 0.007(3) -0.128(3) -0.901(4) H3 0.396(3) 0.192(3) -0.406(5) H4 0.338(3) -0.062(3) -0.286(5) H5 0.172(3) -0.254(3) -0.474(4) H6 0.352(3) 0.240(3) -0.768(5) H7 0.230(3) 0.328(3) -0.617(5) 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 O1 0.0636(7) 0.0435(6) 0.0429(7) -0.0017(5) -0.0034(5) 0.0099(5) O2 0.0621(7) 0.0493(6) 0.0503(7) 0.0103(5) 0.0139(5) 0.0271(6) O3 0.0572(6) 0.0416(6) 0.0574(7) -0.0061(4) 0.0065(5) 0.0200(5) N1 0.0454(6) 0.0340(6) 0.0512(7) 0.0017(5) 0.0026(6) 0.0175(6) N2 0.0688(9) 0.0509(8) 0.0531(8) 0.0220(7) 0.0112(7) 0.0257(7) N3 0.0427(6) 0.0423(6) 0.0399(7) 0.0010(5) 0.0018(5) 0.0134(6) N4 0.0517(7) 0.0419(6) 0.0456(7) 0.0014(5) 0.0112(6) 0.0192(6) N5 0.0438(6) 0.0319(5) 0.0400(6) 0.0065(4) 0.0093(5) 0.0110(5) C1 0.0388(6) 0.0391(6) 0.0425(7) 0.0145(5) 0.0144(6) 0.0150(6) 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 O1 N5 . 1.248(2) yes O2 N5 . 1.232(2) yes O3 N5 . 1.246(2) yes N1 C1 . 1.312(2) yes N1 H1 . 0.86(2) yes N1 H2 . 0.77(2) yes N2 C1 . 1.320(3) yes N2 H4 . 0.88(2) yes N2 H5 . 0.85(2) yes N3 N4 . 1.399(3) yes N3 C1 . 1.328(2) yes N3 H3 . 0.84(2) yes N4 H6 . 0.94(2) yes N4 H7 . 0.97(2) yes O1 N1 1_666 3.038(2) yes O1 N2 2_655 3.088(2) yes O1 N4 2_665 3.153(2) yes O2 N1 1_666 3.087(2) yes O2 N3 . 3.043(2) yes O3 N2 2_655 2.983(2) yes O3 N2 . 2.977(2) yes O3 N4 1_556 3.104(2) yes