data_2000755
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1237
_journal_page_last  1239
loop_
_publ_author_name
 'Yamaguchi, K.'
 'Takahashi, H.'
 'Kaihoh, T.'
 'Itoh, T.'
 'Okada, M.'
 'Nagata, K.'
 'Matsumura, G.'
 'Ohsawa, A.'
_chemical_formula_sum  'C6 H4 N4 O2'
_chemical_formula_weight  164.12
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P c a b'
_symmetry_space_group_name_Hall  ' '
_cell_length_a  13.6020(10)
_cell_length_b  14.477(2)
_cell_length_c  6.9690(10)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  1372.3(3)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.589
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  672
_exptl_absorpt_coefficient_mu  1.025
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54050
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 N(1) .3328(2) .12450(10)
         1.2778(4)
 N(2) .3395(2) .2136(2) 1.2924(5)
 N(3) .3758(2) .2753(2) 1.1590(5)
 N(4) .4033(2) .23860(10)
         .9938(5)
 O(5) .3126(2) .25230(10)
         1.4449(4)
 O(6) .4394(2) .29160(10)
         .8735(4)
 C(7) .3586(2) .0901(2) 1.1016(5)
 C(8) .3932(2) .1441(2) .9520(5)
 C(9) .4154(2) .1082(2) .7711(6)
 C(10) .4042(3) .0157(2) .7469(7)
 C(11) .3719(2) -.0402(2) .8965(6)
 C(12) .3493(2) -.0051(2) 1.0713(6)
 H9 .432(2) .154(2) .667(5)
 H10 .408(3) -.011(2) .624(6)
 H11 .365(2) -.106(3) .875(5)
 H12 .327(2) -.045(2) 1.180(5)