The compound described by C3OBr2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two bromanil molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one Br(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one O(1) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one Br(2) atom. O(1) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one C(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one C(3) atom. is represented by the CIF file [CIF]
data_C3Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.862
_cell_length_b   9.524
_cell_length_c   10.124
_cell_angle_alpha   72.051
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   629.448
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.423  0.858  0.578  1.0
  C  C1  1  0.577  0.142  0.422  1.0
  C  C2  1  0.923  0.142  0.922  1.0
  C  C3  1  0.077  0.858  0.078  1.0
  C  C4  1  0.336  0.996  0.593  1.0
  C  C5  1  0.664  0.004  0.407  1.0
  C  C6  1  0.836  0.004  0.907  1.0
  C  C7  1  0.164  0.996  0.093  1.0
  C  C8  1  0.922  0.861  0.994  1.0
  C  C9  1  0.078  0.139  0.006  1.0
  C  C10  1  0.422  0.139  0.506  1.0
  C  C11  1  0.578  0.861  0.494  1.0
  Br  Br12  1  0.307  0.682  0.686  1.0
  Br  Br13  1  0.693  0.318  0.314  1.0
  Br  Br14  1  0.807  0.318  0.814  1.0
  Br  Br15  1  0.193  0.682  0.186  1.0
  Br  Br16  1  0.304  0.308  0.527  1.0
  Br  Br17  1  0.696  0.692  0.473  1.0
  Br  Br18  1  0.804  0.692  0.973  1.0
  Br  Br19  1  0.196  0.308  0.027  1.0
  O  O20  1  0.204  0.992  0.676  1.0
  O  O21  1  0.796  0.008  0.324  1.0
  O  O22  1  0.704  0.008  0.824  1.0
  O  O23  1  0.296  0.992  0.176  1.0
[/CIF]
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The compound described by C3OBr2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two bromanil molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one Br(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one O(1) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one Br(2) atom. O(1) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one C(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one C(3) atom. is represented by the CIF file [CIF]
data_C3Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.862
_cell_length_b   9.524
_cell_length_c   10.124
_cell_angle_alpha   72.051
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   629.448
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  C  C0  1  0.423  0.858  0.578  1.0
  C  C1  1  0.577  0.142  0.422  1.0
  C  C2  1  0.923  0.142  0.922  1.0
  C  C3  1  0.077  0.858  0.078  1.0
  C  C4  1  0.336  0.996  0.593  1.0
  C  C5  1  0.664  0.004  0.407  1.0
  C  C6  1  0.836  0.004  0.907  1.0
  C  C7  1  0.164  0.996  0.093  1.0
  C  C8  1  0.922  0.861  0.994  1.0
  C  C9  1  0.078  0.139  0.006  1.0
  C  C10  1  0.422  0.139  0.506  1.0
  C  C11  1  0.578  0.861  0.494  1.0
  Br  Br12  1  0.307  0.682  0.686  1.0
  Br  Br13  1  0.693  0.318  0.314  1.0
  Br  Br14  1  0.807  0.318  0.814  1.0
  Br  Br15  1  0.193  0.682  0.186  1.0
  Br  Br16  1  0.304  0.308  0.527  1.0
  Br  Br17  1  0.696  0.692  0.473  1.0
  Br  Br18  1  0.804  0.692  0.973  1.0
  Br  Br19  1  0.196  0.308  0.027  1.0
  O  O20  1  0.204  0.992  0.676  1.0
  O  O21  1  0.796  0.008  0.324  1.0
  O  O22  1  0.704  0.008  0.824  1.0
  O  O23  1  0.296  0.992  0.176  1.0
[/CIF]
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