#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000770.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_2000770
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  1283
_journal_page_last  1285
loop_
_publ_author_name
 'Britton, D.'
_chemical_formula_sum  'C6 H2 Br2 N2 O2'
_chemical_formula_weight  293.90
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_cell_length_a  23.08(3)
_cell_length_b  7.842(3)
_cell_length_c  28.081(13)
_cell_angle_alpha  90.
_cell_angle_beta  105.97(7)
_cell_angle_gamma  90.
_cell_volume  4886.4
_cell_formula_units_Z  24
_exptl_crystal_density_diffrn  2.396(6)
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  3312
_exptl_absorpt_coefficient_mu  9.81
_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
 N1A .6115(6) .517(2) .6030(5)
 O1A .5849(5) .618(2) .5723(4)
 O2A .6549(5) .5780(10)
       .6465(4)
 N2A .6808(6) .445(2) .6764(4)
 C1A .6135(7) .343(2) .6076(5)
 C2A .6555(7) .306(3) .6534(5)
 C3A .6653(7) .137(2) .6677(5)
 C4A .6356(8) .006(3) .6381(6)
 C5A .5926(8) .049(3) .5918(6)
 C6A .5810(6) .212(2) .5759(5)
 Br3A .72233(9) .0815(2) .72867(6)
 Br6A .52379(8) .2703(2) .51571(5)
 N1B .3811(6) .623(2) .2206(4)
 O1B .4072(6) .731(2) .2519(4)
 O2B .3400(5) .690(2) .1759(3)
 N2B .3154(6) .557(2) .1456(4)
 C1B .3796(7) .452(2) .2172(5)
 C2B .3379(7) .419(2) .1700(5)
 C3B .3279(8) .249(2) .1565(6)
 C4B .3560(8) .128(3) .1875(6)
 C5B .3983(8) .168(3) .2339(6)
 C6B .4109(7) .321(2) .2487(5)
 Br3B .27237(8) .1955(3) .09482(6)
 Br6B .46704(8) .3815(3) .30866(6)
 N1C .1412(6) -.002(2) -.0241(5)
 O1C .1715(6) .071(2) .0096(4)
 O2C .1030(5) .0810(10)
       -.0669(4)
 N2C .0701(6) -.029(2) -.1006(5)
 C1C .1307(7) -.169(3) -.0348(5)
 C2C .0886(7) -.185(3) -.0809(5)
 C3C .0701(7) -.343(2) -.1018(5)
 C4C .0919(8) -.487(3) -.0755(6)
 C5C .1347(8) -.480(3) -.0278(6)
 C6C .1552(7) -.321(3) -.0083(5)
 Br3C .01312(8) -.3500(3) -.16486(6)
 Br6C .21403(8) -.3156(3) .05306(6)
 H4A .6434 -.1095 .6478
 H5A .5714 -.0408 .5716
 H4B .3479 .0123 .1786
 H5B .4176 .0769 .2545
 H4C .0783 -.5949 -.0893
 H5C .1489 -.5820 -.0100