#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000381.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_2000381
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2207
_journal_page_last  2209
loop_
_publ_author_name
 'Nethaji, M.'
 'Pattabhi, V.'
 'Chhabra, N.'
 'Poonia, N.S.'
_chemical_formula_moiety  'C1 H5 N1,C7 H3 N2 O6'
_chemical_formula_sum  'C8 H8 N3 O6'
_chemical_formula_weight  242.17
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  6.7370(10)
_cell_length_b  7.803(7)
_cell_length_c  10.4440(10)
_cell_angle_alpha  94.747(8)
_cell_angle_beta  108.300(10)
_cell_angle_gamma  97.430(10)
_cell_volume  512.4(2)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.570
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  250
_exptl_absorpt_coefficient_mu  0.1282
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C1 .1936(2) .3392(2) -.00700(10)
 C2 .2840(2) .5038(2) .06420(10)
 C21 .3718(2) .5287(2) .21830(10)
 O21 .3886(3) .39470(10)
        .27400(10)
 O22 .4210(3) .68060(10)
        .27440(10)
 C3 .2962(2) .6467(2) -.00620(10)
 C4 .2178(2) .6203(2) -.14700(10)
 N41 .2331(2) .7702(2) -.22200(10)
 O41 .1234(2) .7516(2) -.34270(10)
 O42 .3512(2) .90370(10)
        -.16180(10)
 C5 .1265(2) .4590(2) -.22090(10)
 C6 .1166(2) .3218(2) -.14750(10)
 N61 .0149(2) .1494(2) -.22440(10)
 O61 -.0073(2) .12670(10)
         -.34580(10)
 O62 -.0458(2) .03670(10)
         -.16380(10)
 N11 .6408(2) -.19320(10)
         .53250(10)
 C12 .5048(2) -.0648(2) .55020(10)