#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000434.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_2000434
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1957
_journal_page_last  1960
loop_
_publ_author_name
 'Serra, M.A.'
 'Dorner, B.K.'
 'Silver, M.E.'
_chemical_formula_moiety  'C5 H5 N5,H2 O2'
_chemical_formula_sum  'C5 H7 N5 O2'
_chemical_formula_weight  169.14
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  ?
_cell_length_a  8.939(3)
_cell_length_b  10.697(4)
_cell_length_c  14.920(4)
_cell_angle_alpha  90.
_cell_angle_beta  102.55(2)
_cell_angle_gamma  90.
_cell_volume  1392.5(7)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.614
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  704
_exptl_absorpt_coefficient_mu  0.1209
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 N(1) .6778(2) .1650(2) .63440(10)
 C(2) .8181(3) .1152(2) .6427(2)
 N(3) .8807(2) .0643(2) .57870(10)
 C(4) .7812(2) .0636(2) .4965(2)
 C(5) .6336(2) .1102(2) .4779(2)
 C(6) .5815(2) .1657(2) .55130(10)
 N(7) .5651(2) .0924(2) .38550(10)
 C(8) .6722(3) .0364(2) .3521(2)
 N(9) .8047(2) .0172(2) .41500(10)
 N(10) .4438(2) .2183(2) .5427(2)
 O(1) .1706(2) .1952(2) .29130(10)
 O(2) .3167(2) .2474(2) .33970(10)
 H(C2) .882(3) .117(2) .704(2)
 H(C8) .664(3) .010(2) .286(2)
 H(N9) .896(4) .983(3) .407(2)
 H(N10a) .421(3) .248(3) .590(2)
 H(10b) .387(3) .224(3) .485(2)
 H(O1) .164(5) .247(4) .231(3)
 H(O2) .385(4) .173(4) .343(3)