#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012237.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2012237
loop_
_publ_author_name
'Vasiliev, Alexander D.'
'Astachov, Alexander M.'
'Kekin, Yuri V.'
'Kruglyakova, Ludmila A.'
'Stepanov, Rudolf S.'
_publ_section_title
;
1-Amino-2-nitraminoethane
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1192
_journal_page_last               1193
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C2 H7 N3 O2'
_chemical_formula_sum            'C2 H7 N3 O2'
_chemical_formula_weight         105.11
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.240(5)
_cell_angle_beta                 92.743(4)
_cell_angle_gamma                96.356(4)
_cell_formula_units_Z            2
_cell_length_a                   4.3449(2)
_cell_length_b                   6.2955(3)
_cell_length_c                   8.5432(5)
_cell_measurement_temperature    293(2)
_cell_volume                     223.36(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.563
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2012237
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
N1 .0237(2) .32208(17) .21151(12) .0220(3) Uani d . 1 . . N
O1 -.1902(2) .21586(15) .09892(11) .0333(3) Uani d . 1 . . O
O2 .0966(2) .23165(16) .32042(12) .0359(3) Uani d . 1 . . O
N2 .1460(2) .51362(17) .20486(12) .0240(3) Uani d . 1 . . N
C1 .3897(3) .6137(2) .33447(15) .0250(3) Uani d . 1 . . C
H1 .5417 .5121 .3352 .032 Uiso calc R 1 . . H
H2 .3015 .6457 .4391 .032 Uiso calc R 1 . . H
C2 .5438(3) .8261(2) .30539(16) .0264(4) Uani d . 1 . . C
H3 .3949 .9320 .3161 .032 Uiso calc R 1 . . H
H4 .7145 .8897 .3877 .032 Uiso calc R 1 . . H
N3 .6629(2) .78806(17) .14224(13) .0241(3) Uani d . 1 . . N
H5 .8118 .6899 .1328 .039 Uiso calc R 1 . . H
H6 .7533 .9230 .1282 .039 Uiso calc R 1 . . H
H7 .4989 .7272 .0625 .039 Uiso calc R 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
N1 .0224(6) .0211(5) .0250(6) .0040(4) .0037(4) .0100(4)
O1 .0337(6) .0291(5) .0350(6) -.0072(4) -.0085(4) .0116(4)
O2 .0423(6) .0316(6) .0395(6) -.0009(4) -.0047(4) .0235(5)
N2 .0259(6) .0210(6) .0272(6) .0011(4) .0012(4) .0109(4)
C1 .0272(7) .0264(7) .0226(7) .0030(5) .0018(5) .0089(5)
C2 .0292(7) .0220(6) .0254(7) .0005(5) .0029(5) .0031(5)
N3 .0248(6) .0210(6) .0270(6) -.0003(4) .0012(4) .0088(4)
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
N1 O2 . 1.2571(14) yes
N1 N2 . 1.2794(15) yes
N1 O1 . 1.2942(14) yes
N2 C1 . 1.4551(16) yes
C1 C2 . 1.5136(17) yes
C1 H1 . .9700 no
C1 H2 . .9700 no
C2 N3 . 1.4794(16) yes
C2 H3 . .9700 no
C2 H4 . .9700 no
N3 H5 . .9350 no
N3 H6 . .9350 no
N3 H7 . .9350 no