#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002924.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_2002924
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     1998
_journal_volume     B54
_journal_page_first     912
_journal_page_last     920
loop_
    _publ_author_name
    'Yang, H.W.'
    'Craven, B.M.'
_chemical_formula_moiety     'C5 H5 N1 O1'
_chemical_formula_sum     'C5 H5 N1 O1'
_chemical_formula_weight     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab'
_cell_length_a     13.585(2)
_cell_length_b     5.806(3)
_cell_length_c     5.603(2)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     ?
_cell_formula_units_Z     1
_exptl_crystal_density_diffrn     ?
_exptl_crystal_density_meas     ?
_exptl_crystal_F_000     ?
_exptl_absorpt_coefficient_mu     ?
_diffrn_radiation_type     MoK\a
_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
    N1 -.19120(10)
                 .21460(10)
                          -.17780(10)
                                    ?
    C2 -.13760(10)
                 .20960(10)
                          .03110(10)
                                   ?
    O2 -.15080(10)
                 .0516(2) .1793(2) ?
    C3 -.06890(10)
                 .39580(10)
                          .05980(10)
                                   ?
    C4 -.06150(10)
                 .56680(10)
                          -.10770(10)
                                    ?
    C5 -.12070(10)
                 .56430(10)
                          -.31560(10)
                                    ?
    C6 -.18410(10)
                 .38390(10)
                          -.34520(10)
                                    ?
    H1 -.241 .083 -.208 ?
    H3 -.022 .404 .217 ?
    H4 -.008 .704 -.082 ?
    H5 -.116 .698 -.451 ?
    H6 -.234 .361 -.494 ?