The crystal structure described by CH2BrCl is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight bromochloromethane molecules. C(1) is bonded in a distorted tetrahedral geometry to one H(1), one H(2), one Br(1), and one Cl(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. Cl(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF file [CIF]
data_H2CBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.867
_cell_length_b   6.851
_cell_length_c   15.906
_cell_angle_alpha   91.999
_cell_angle_beta   81.199
_cell_angle_gamma   110.807
_symmetry_Int_Tables_number   1
_cell_volume   489.863
_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
  H  H0  1  0.015  0.797  0.540  1.0
  H  H1  1  0.258  0.703  0.960  1.0
  H  H2  1  0.985  0.203  0.460  1.0
  H  H3  1  0.742  0.297  0.040  1.0
  H  H4  1  0.829  0.789  0.649  1.0
  H  H5  1  0.189  0.711  0.851  1.0
  H  H6  1  0.171  0.211  0.351  1.0
  H  H7  1  0.811  0.289  0.149  1.0
  C  C8  1  0.032  0.792  0.607  1.0
  C  C9  1  0.347  0.708  0.893  1.0
  C  C10  1  0.968  0.208  0.393  1.0
  C  C11  1  0.653  0.292  0.107  1.0
  Br  Br12  1  0.345  0.053  0.631  1.0
  Br  Br13  1  0.423  0.447  0.869  1.0
  Br  Br14  1  0.655  0.947  0.369  1.0
  Br  Br15  1  0.577  0.553  0.131  1.0
  Cl  Cl16  1  0.109  0.568  0.629  1.0
  Cl  Cl17  1  0.671  0.932  0.871  1.0
  Cl  Cl18  1  0.891  0.432  0.371  1.0
  Cl  Cl19  1  0.329  0.068  0.129  1.0
[/CIF]
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The crystal structure described by CH2BrCl is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight bromochloromethane molecules. C(1) is bonded in a distorted tetrahedral geometry to one H(1), one H(2), one Br(1), and one Cl(1) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. Cl(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF file [CIF]
data_H2CBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.867
_cell_length_b   6.851
_cell_length_c   15.906
_cell_angle_alpha   91.999
_cell_angle_beta   81.199
_cell_angle_gamma   110.807
_symmetry_Int_Tables_number   1
_cell_volume   489.863
_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
  H  H0  1  0.015  0.797  0.540  1.0
  H  H1  1  0.258  0.703  0.960  1.0
  H  H2  1  0.985  0.203  0.460  1.0
  H  H3  1  0.742  0.297  0.040  1.0
  H  H4  1  0.829  0.789  0.649  1.0
  H  H5  1  0.189  0.711  0.851  1.0
  H  H6  1  0.171  0.211  0.351  1.0
  H  H7  1  0.811  0.289  0.149  1.0
  C  C8  1  0.032  0.792  0.607  1.0
  C  C9  1  0.347  0.708  0.893  1.0
  C  C10  1  0.968  0.208  0.393  1.0
  C  C11  1  0.653  0.292  0.107  1.0
  Br  Br12  1  0.345  0.053  0.631  1.0
  Br  Br13  1  0.423  0.447  0.869  1.0
  Br  Br14  1  0.655  0.947  0.369  1.0
  Br  Br15  1  0.577  0.553  0.131  1.0
  Cl  Cl16  1  0.109  0.568  0.629  1.0
  Cl  Cl17  1  0.671  0.932  0.871  1.0
  Cl  Cl18  1  0.891  0.432  0.371  1.0
  Cl  Cl19  1  0.329  0.068  0.129  1.0
[/CIF]
.