#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002038.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_2002038
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1993
_journal_volume 49
_journal_page_first 36
_journal_page_last 39
loop_
_publ_author_name
'Katrusiak, A.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C4 H4 N2 O2'
_chemical_formula_weight 112.09
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_cell_length_a 6.891(2)
_cell_length_b 9.674(2)
_cell_length_c 6.9460(10)
_cell_angle_alpha  90
_cell_angle_beta 100.07(2)
_cell_angle_gamma  90
_cell_volume 455.9(2)
_cell_formula_units_Z 4
_exptl_crystal_density_diffrn 1.630(10)
_exptl_crystal_density_meas ?
_exptl_crystal_F_000 232
_exptl_absorpt_coefficient_mu 1.031
_diffrn_radiation_type Cu
_diffrn_radiation_wavelength 1.54178
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .7376(2) .11040(10)
   .1054(2) .045
N(2) .9292(2) .14850(10)
   .1129(2) .043
C(3) .9621(2) .28040(10)
   .1295(2) .037
O(3) 1.1468(2) .32580(10)
.1384(2) .053
C(4) .8131(2) .37950(10)
   .1390(3) .046
C(5) .6261(2) .33640(10)
   .1309(2) .042
C(6) .5824(2) .19150(10)
   .1121(2) .037
O(6) .4129(2) .14060(10)
   .1039(2) .054
H(1) .717(4) .028(4) .083(4) .070(10)
H(3) 1.236(5) .244(5) .132(5) .13(2)
H(4) .844(4) .472(3) .149(4) .070(10)
H(5) .520(3) .398(3) .135(3) .060(10)