data_2010683
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  211
_journal_page_last  212
_publ_section_title
;
 4,4'-Dibromobenzophenone at 293 and 103 K
;
loop_
_publ_author_name
  "Peri\'c, Berislav"
  "Koji\'c-Prodi\'c, Biserka"
_chemical_formula_moiety  'C13 H8 Br2 O'
_chemical_formula_sum  'C13 H8 Br2 O'
_chemical_formula_structural  'C13 H8 Br2 O'
_chemical_formula_weight  339.99
_symmetry_cell_setting  'orthorhombic'
_symmetry_space_group_name_H-M  'C c c 2'
_symmetry_space_group_name_Hall  'C 2 -2yc'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,z
  -x,y,1/2+z
  x,-y,1/2+z
  1/2+x,1/2+y,z
  1/2-x,1/2-y,z
  1/2-x,1/2+y,1/2+z
  1/2+x,1/2-y,1/2+z
_cell_length_a  7.2242(2)
_cell_length_b  26.5957(9)
_cell_length_c  6.0118(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1155.06(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  103(3)
_exptl_crystal_density_diffrn  1.955
_diffrn_ambient_temperature  103(3)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Br  .27716(4)  .043330(10)
  .44883(10)  .02440(10)
  Uani 1.000 Br
  O  .25000  .25000 1.1119(7)  .0221(10) Uani 1.000 O
  C1  .25000  .25000  .9079(8)  .0115(13) Uani 1.000 C
  C2  .2474(4)  .20127(12)  .7862(5)  .0121(8) Uani 1.000 C
  C3  .3249(4)  .19550(11)  .5750(4)  .0118(8) Uani 1.000 C
  C4  .3352(4)  .14839(10)  .4761(5)  .0126(7) Uani 1.000 C
  C5  .2638(4)  .10675(13)  .5886(6)  .0154(9) Uani 1.000 C
  C6  .1842(5)  .11163(12)  .7985(5)  .0176(8) Uani 1.000 C
  C7  .1774(5)  .15871(14)  .8967(4)  .0153(9) Uani 1.000 C
  H3  .364(5)  .2224(12)  .506(6)  .014(9) Uiso 1.000 H
  H4  .380(7)  .1439(14)  .329(7)  .031(12) Uiso 1.000 H
  H6  .140(7)  .0844(16)  .860(7)  .035(12) Uiso 1.000 H
  H7  .129(6)  .1615(16) 1.042(6)  .019(11) Uiso 1.000 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Br  .0281(2)  .0137(2)  .0313(2)  .00110(10)
  -.0001(3)  -.0032(2)
  O  .0300(17)  .028(2)  .0082(16)  .0067(14)  .0000  .0000
  C1  .0105(18)  .015(2)  .009(3)  .0034(14)  .0000  .0000
  C2  .0079(11)  .0167(15)  .0117(14)  .0021(11)  -.0023(10)  .0018(13)
  C3  .0084(12)  .0153(12)  .0117(15)  .0015(11)  -.0007(11)  .0031(11)
  C4  .0116(11)  .0156(11)  .0107(16)  .0020(9)  .0013(12)  .0000(15)
  C5  .0126(13)  .0133(15)  .0202(19)  .0010(10)  -.0036(11)  .0013(14)
  C6  .0141(12)  .0184(14)  .0202(15)  -.0001(12)  -.0006(13)  .0055(13)
  C7  .0133(14)  .0217(16)  .0108(16)  .0022(13)  .0017(10)  .0045(11)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Br C5 . . 1.887(4) no
  O C1 . . 1.226(6) no
  C1 C2 . . 1.488(4) no
  C2 C3 . . 1.396(4) no
  C2 C7 . . 1.407(5) no
  C3 C4 . . 1.389(4) no
  C4 C5 . . 1.396(4) no
  C5 C6 . . 1.393(5) no
  C6 C7 . . 1.385(5) no
  C3 H3 . .  .87(3) no
  C4 H4 . .  .95(4) no
  C6 H6 . .  .87(4) no
  C7 H7 . .  .94(4) no