#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000268.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_2000268
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  1670
_journal_page_last  1672
_chemical_formula_sum  'C12 H12 N2 O4'
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_h-m  P1
_symmetry_space_group_name_hall  ?
_cell_length_a  6.793(2)
_cell_length_b  7.209(11)
_cell_length_c  11.405(4)
_cell_angle_alpha  88.77(7)
_cell_angle_beta  89.06(2)
_cell_angle_gamma  74.62(6)
_cell_volume  538.35
_cell_formula_units_z  2
_exptl_crystal_density_diffrn  1.531
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  260
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 N(1) .3605(9) .6665(8) .0818(4) .058
 N(2) .4038(4) .6885(4) .2018(2) .086
 O(1) .7319(4) .5289(4) .1709(2) .059
 O(5) .0730(4) .8428(4) .2322(2) .045
 O(7) .1837(4) .9264(4) .6188(2) .049
 O(9) .6758(4) .8445(4) .9123(2) .046
 C(1) .6005(6) .6119(5) .2394(3) .035
 C(2) .6481(6) .6383(6) .3639(3) .032
 C(3) .4778(5) .7381(5) .4426(3) .029
 C(4) .2892(6) .7995(6) .3955(3) .036
 C(5) .2455(6) .7799(5) .2735(3) .032
 C(6) .5268(5) .7649(5) .5662(3) .027
 C(7) .3816(5) .8585(5) .6510(3) .031
 C(8) .4383(6) .8819(6) .7638(3) .035
 C(9) .6387(6) .8124(5) .7984(3) .032
 C(10) .7858(6) .7174(6) .7185(3) .037
 C(11) .7271(5) .6967(5) .6055(3) .034
 C(12) .8817(7) .7781(8) .9529(4) .050
 H1(HA) .4476 .6873 .0536 ?
 H(N1B) .2702 .7046 .0726 ?
 H(C2A) .7711 .6989 .3594 ?
 H(C2B) .7180 .5073 .3898 ?
 H4 .1851 .8517 .4410 ?
 H11 .8337 .6317 .5503 ?
 H10 .9257 .6730 .7392 ?
 H8 .3344 .9554 .8115 ?
 H7 .1254 .9878 .6805 ?
 H(MEA) .9322 .6357 -.0622 ?
 H(MEB) .8662 .7999 .0393 ?
 H(MEC) .9732 .8352 -.0909 ?