#------------------------------------------------------------------------------
#$Date: 2009-11-16 02:43:51 +0100 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: svn://www.crystallography.net/cod/cif/2/2100172.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_2100172
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  558
_journal_page_last  568
_symmetry_cell_setting  monoclinic
_chemical_formula_sum  'C6 H10 N2 O2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 x,y,z
  2 -x,1/2+y,1/2-z
  3 -x,-y,-z
  4 x,1/2-y,1/2+z
_cell_length_a  5.7455
_cell_length_b  15.6501
_cell_length_c  8.1342
_cell_angle_alpha  90
_cell_angle_beta  78.3204
_cell_angle_gamma  90
_cell_volume  716.264
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_type_symbol
  C1 0.262985 0.15937 0.888339 C
  C2 0.361373 0.248112 0.841234 C
  C3 0.627024 0.233023 0.776089 C
  C4 0.636547 0.141341 0.708453 C
  C5 0.368687 0.0141544 0.808772 C
  C6 0.21968 0.00441278 0.673665 C
  N1 0.438389 0.101628 0.823399 N
  N2 0.0845786 -0.068234 0.687458 N
  O1 0.0637253 0.139569 0.965716 O
  O2 0.233054 0.0554251 0.55741 O
  H1 0.318314 0.291855 0.946971 H
  H2 0.274947 0.27145 0.742021 H
  H3 0.721434 0.236225 0.879463 H
  H4 0.708045 0.278554 0.680317 H
  H5 0.802778 0.108892 0.71421 H
  H6 0.608128 0.138966 0.579722 H
  H7 0.526569 -0.0260478 0.776434 H
  H8 0.266679 -0.00643869 0.930258 H
  H9 0.0327274 -0.0957842 0.800672 H
  H10 -0.0295916 -0.0722792 0.60861 H