#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011924.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_2011924
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  625
_journal_page_last  626
_publ_section_title
;
Nitroguanyl azide
;
loop_
_publ_author_name
  'Vasiliev, Alexander D.'
  'Astachov, Alexander M.'
  'Nefedov, Andrey A.'
  'Kruglyakova, Ludmila A.'
  'Stepanov, Rudolf S.'
_chemical_formula_moiety  'C H2 N6 O2'
_chemical_formula_sum  'C H2 N6 O2'
_chemical_formula_weight  130.09
_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  9.9302(8)
_cell_length_b  7.9433(9)
_cell_length_c  7.1288(8)
_cell_angle_alpha  98.310(10)
_cell_angle_beta  110.580(10)
_cell_angle_gamma  75.108(9)
_cell_volume  507.83(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.701
_diffrn_ambient_temperature  293(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
  C1A  .74742(16)  .00130(17)  .6997(2)  .0376(3) Uani d . 1 . . C
  N1A  .66238(13)  .10530(15)  .55232(17)  .0378(3) Uani d . 1 . . N
  N2A  .87682(17)  -.10340(18)  .7291(2)  .0512(4) Uani d . 1 . . N
  H1A  .917(3)  -.160(3)  .842(4)  .071(6) Uiso d . 1 . . H
  H2A  .923(3)  -.099(3)  .645(3)  .071(6) Uiso d . 1 . . H
  N3A  .71542(13)  .11576(15)  .40460(17)  .0373(3) Uani d . 1 . . N
  N4A  .68901(17)  .00020(18)  .8506(2)  .0516(4) Uani d . 1 . . N
  N5A  .56250(16)  .09674(17)  .82266(18)  .0453(3) Uani d . 1 . . N
  N6A  .45205(19)  .1744(2)  .8220(2)  .0592(4) Uani d . 1 . . N
  O1A  .62908(12)  .21175(15)  .27048(16)  .0494(3) Uani d . 1 . . O
  O2A  .83855(13)  .03785(16)  .40061(18)  .0558(3) Uani d . 1 . . O
  C1B  .22185(15)  .48405(17)  -.05571(19)  .0347(3) Uani d . 1 . . C
  N1B  .14663(12)  .37780(14)  -.02858(16)  .0342(3) Uani d . 1 . . N
  N2B  .20705(17)  .55960(19)  -.2144(2)  .0495(4) Uani d . 1 . . N
  H1B  .262(3)  .626(3)  -.206(3)  .074(7) Uiso d . 1 . . H
  H2B  .144(2)  .535(3)  -.328(3)  .063(6) Uiso d . 1 . . H
  N3B  .03547(13)  .33446(14)  -.18819(16)  .0372(3) Uani d . 1 . . N
  N4B  .33450(14)  .52520(18)  .11267(18)  .0448(3) Uani d . 1 . . N
  N5B  .33850(13)  .46870(17)  .27080(18)  .0433(3) Uani d . 1 . . N
  N6B  .35467(17)  .4289(2)  .4216(2)  .0621(4) Uani d . 1 . . N
  O1B  -.03604(12)  .24662(14)  -.15028(16)  .0481(3) Uani d . 1 . . O
  O2B  .00660(14)  .37831(17)  -.35940(16)  .0603(4) Uani d . 1 . . O
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
  C1A  .0448(8)  .0351(6)  .0353(7)  -.0093(6)  .0144(6)  .0050(5)
  N1A  .0404(7)  .0422(6)  .0348(6)  -.0084(5)  .0151(5)  .0089(5)
  N2A  .0534(9)  .0501(7)  .0495(8)  .0026(6)  .0198(7)  .0194(6)
  N3A  .0396(7)  .0417(6)  .0343(6)  -.0124(5)  .0126(5)  .0066(5)
  N4A  .0597(9)  .0551(8)  .0431(7)  .0013(6)  .0247(6)  .0180(6)
  N5A  .0582(10)  .0483(7)  .0374(6)  -.0154(7)  .0224(6)  .0038(5)
  N6A  .0574(10)  .0678(9)  .0597(9)  -.0113(8)  .0310(7)  .0010(7)
  O1A  .0499(7)  .0594(6)  .0415(6)  -.0087(5)  .0131(5)  .0222(5)
  O2A  .0456(7)  .0729(8)  .0532(7)  -.0001(6)  .0258(5)  .0157(6)
  C1B  .0339(7)  .0376(7)  .0337(6)  -.0046(5)  .0132(5)  .0059(5)
  N1B  .0353(7)  .0382(6)  .0294(5)  -.0088(5)  .0086(4)  .0071(4)
  N2B  .0559(9)  .0619(8)  .0384(7)  -.0244(7)  .0122(6)  .0143(6)
  N3B  .0397(7)  .0368(6)  .0335(6)  -.0074(5)  .0097(5)  .0052(4)
  N4B  .0396(7)  .0592(8)  .0394(7)  -.0182(6)  .0101(5)  .0087(5)
  N5B  .0329(7)  .0589(7)  .0361(7)  -.0129(5)  .0063(5)  .0042(5)
  N6B  .0520(9)  .0948(11)  .0374(7)  -.0200(8)  .0065(6)  .0118(7)
  O1B  .0505(7)  .0478(6)  .0517(6)  -.0227(5)  .0159(5)  .0011(5)
  O2B  .0718(8)  .0753(8)  .0321(5)  -.0312(6)  -.0006(5)  .0157(5)
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
  C1A N1A . 1.3296(18) ?
  C1A N2A . 1.303(2) ?
  C1A N4A . 1.3921(18) ?
  N1A N3A . 1.3532(15) ?
  N2A H1A .  .89(2) ?
  N2A H2A .  .89(2) ?
  N3A O2A . 1.2284(16) ?
  N3A O1A . 1.2366(16) ?
  N4A N5A . 1.257(2) ?
  N5A N6A . 1.1104(19) ?
  C1B N2B . 1.3024(18) ?
  C1B N1B . 1.3343(17) ?
  C1B N4B . 1.3891(18) ?
  N1B N3B . 1.3531(16) ?
  N2B H1B .  .83(2) ?
  N2B H2B .  .87(2) ?
  N3B O1B . 1.2280(15) ?
  N3B O2B . 1.2324(15) ?
  N4B N5B . 1.2566(17) ?
  N5B N6B . 1.1104(18) ?
_cod_database_code 2011924