#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000391.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_2000391
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2227
_journal_page_last  2229
loop_
_publ_author_name
 'Leban, I.'
 'Polanc, S.'
_chemical_formula_moiety  'C10 H8 N2 O1'
_chemical_formula_sum  'C10 H8 N2 O1'
_chemical_formula_weight  172.2
_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  7.1890(10)
_cell_length_b  10.141(2)
_cell_length_c  11.302(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  824.0(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.388
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  360
_exptl_absorpt_coefficient_mu  0.087
_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
_atom_site_U_iso_or_equiv
 O .1045(3) .2025(2) -.22970(10)
          .064
 N1 .1259(3) .1103(2) -.1516(2) .042
 C2 .1532(3) .1370(2) -.0331(2) .039
 N3 .1821(3) .0397(2) .0434(2) .047
 C4 .1798(5) -.0851(2) .0073(2) .054
 C5 .1448(4) -.1181(2) -.1093(2) .053
 C6 .1180(4) -.0177(3) -.1879(2) .050
 C11 .1490(3) .2732(2) .0133(2) .037
 C12 .1891(4) .3857(2) -.0532(2) .049
 C13 .1865(5) .5088(3) .0005(3) .060
 C14 .1424(5) .5230(3) .1182(3) .059
 C15 .1020(5) .4132(3) .1839(2) .059
 C16 .1065(4) .2883(2) .1331(2) .047
 H4 .2060 -.1626 .0706 ?
 H5 .1389 -.2199 -.1372 ?
 H6 .0903 -.0399 -.2797 ?
 H12 .2221 .3771 -.1461 ?
 H13 .2197 .5952 -.0512 ?
 H14 .1396 .6196 .1584 ?
 H15 .0662 .4237 .2762 ?
 H16 .0771 .2026 .1866 ?