#------------------------------------------------------------------------------
#$Date: 2011-01-02 22:00:31 +0200 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2005764.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_2005764
_publ_section_title
;
6-Bromo-2H-3,1-Benzoxazine-2,4(1H)-dione
at 153 K
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              3108
_journal_page_last               3110
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C8 H4 Br N O3'
_chemical_formula_weight         242.03
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.904(5)
_cell_length_b                   6.0290(12)
_cell_length_c                   5.1640(10)
_cell_measurement_temperature    153(2)
_cell_volume                     775.4(3)
_exptl_crystal_density_diffrn    2.073
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005764
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Br 1 0.73941(3) 0.55628(11) 0.9741(3) 0.0278(3)
N 1 0.5494(3) 0.1898(9) 1.5616(11) 0.0204(14)
H1 1 0.5350 0.0633 1.5128 0.024
O1 1 0.5491(2) 0.4954(8) 1.8364(11) 0.0233(12)
C1 1 0.5274(3) 0.2966(11) 1.7646(14) 0.0182(15)
O2 1 0.4905(2) 0.2278(8) 1.8923(11) 0.0283(14)
C2 1 0.5909(3) 0.5987(12) 1.7063(13) 0.0187(16)
C3 1 0.6588(3) 0.5592(11) 1.3602(15) 0.0197(16)
H3 1 0.6736 0.6992 1.4054 0.024
O3 1 0.6045(2) 0.7777(8) 1.7822(11) 0.0258(13)
C4 1 0.6798(3) 0.4385(10) 1.1602(15) 0.0185(15)
C5 1 0.6593(3) 0.2313(12) 1.0897(13) 0.0178(15)
H5 1 0.6751 0.1497 0.9523 0.021
C6 1 0.6156(3) 0.1465(12) 1.2221(14) 0.0198(16)
H6 1 0.6008 0.0068 1.1752 0.024
C7 1 0.5934(3) 0.2683(10) 1.4252(13) 0.0150(15)
C8 1 0.6151(3) 0.4728(10) 1.4968(17) 0.0167(14)