data_2005764
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	3108
_journal_page_last    	3110
_publ_section_title    	
;
6-Bromo-2H-3,1-Benzoxazine-2,4(1H)-dione
at 153 K
;
_chemical_formula_sum    	'C8 H4 Br N O3'
_chemical_formula_weight    	242.03
_symmetry_cell_setting    	Orthorhombic
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'
_symmetry_space_group_name_H-M    	'P n a 21'
_cell_length_a    	24.904(5)
_cell_length_b    	6.0290(12)
_cell_length_c    	5.1640(10)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.00
_cell_angle_gamma    	90.00
_cell_volume    	775.4(3)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	2.073
_cell_measurement_temperature    	153(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)