#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100171.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_2100171
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  558
_journal_page_last  568
_chemical_formula_sum  'C6 H10 N2 O2'
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,-y,-z
_cell_length_a  7.8592
_cell_length_b  7.3337
_cell_length_c  10.2168
_cell_angle_alpha  121.33
_cell_angle_beta  74.3073
_cell_angle_gamma  133.892
_cell_volume  358.589
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  C1 -0.0410725 0.207571 0.44229 C
  C2 0.214333 0.334181 0.448128 C
  C3 0.213387 0.125451 0.29212 C
  C4 0.0187407 0.00284005 0.183179 C
  C5 -0.383746 -0.139335 0.237269 C
  C6 -0.41014 -0.0693034 0.131272 C
  N1 -0.139069 0.0281761 0.28843 N
  N2 -0.238326 0.214394 0.168008 N
  O1 -0.14209 0.258929 0.551056 O
  O2 -0.576414 -0.254754 0.0246561 O
  H1 0.333002 0.549741 0.460789 H
  H2 0.263331 0.35592 0.548454 H
  H3 0.161254 -0.0487488 0.301375 H
  H4 0.385242 0.226085 0.250402 H
  H5 0.09061 0.126245 0.123044 H
  H6 -0.0786925 -0.22216 0.095806 H
  H7 -0.463175 -0.0934006 0.341209 H
  H8 -0.482875 -0.369761 0.173991 H
  H9 -0.115839 0.361762 0.263036 H
  H10 -0.258799 0.279464 0.112577 H
_cod_database_code 2100171