The material described by C8N2H3O2Cl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,5-trichloro-3-cyano-6-hydroxybenzamide molecules. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(7), and one Cl(3) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one O(1) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(7) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(8), and one Cl(2) atom. In the sixth C site, C(6) is bonded in a distorted linear geometry to one C(4) and one N(1) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(4), and one Cl(1) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one H(2), and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(3) and one H(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one C(1) and one H(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(7) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(5) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H3C8N2Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   9.412
_cell_length_c   10.712
_cell_angle_alpha   108.599
_cell_angle_beta   86.267
_cell_angle_gamma   104.964
_symmetry_Int_Tables_number   1
_cell_volume   637.288
_cell_formula_units_Z   2
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  0.606  0.368  0.466  1.0
  H  H1  1  0.394  0.632  0.534  1.0
  H  H2  1  0.329  0.061  0.771  1.0
  H  H3  1  0.671  0.939  0.229  1.0
  H  H4  1  0.465  0.077  0.629  1.0
  H  H5  1  0.535  0.923  0.371  1.0
  C  C6  1  0.689  0.142  0.383  1.0
  C  C7  1  0.311  0.858  0.617  1.0
  C  C8  1  0.071  0.504  0.723  1.0
  C  C9  1  0.929  0.496  0.277  1.0
  C  C10  1  0.195  0.607  0.661  1.0
  C  C11  1  0.805  0.393  0.339  1.0
  C  C12  1  0.129  0.309  0.186  1.0
  C  C13  1  0.871  0.691  0.814  1.0
  C  C14  1  0.002  0.206  0.245  1.0
  C  C15  1  0.998  0.794  0.755  1.0
  C  C16  1  0.290  0.266  0.107  1.0
  C  C17  1  0.710  0.734  0.893  1.0
  C  C18  1  0.089  0.454  0.201  1.0
  C  C19  1  0.911  0.546  0.799  1.0
  C  C20  1  0.836  0.243  0.318  1.0
  C  C21  1  0.164  0.757  0.682  1.0
  N  N22  1  0.419  0.230  0.038  1.0
  N  N23  1  0.581  0.770  0.962  1.0
  N  N24  1  0.368  0.011  0.677  1.0
  N  N25  1  0.632  0.989  0.323  1.0
  Cl  Cl26  1  0.242  0.577  0.128  1.0
  Cl  Cl27  1  0.758  0.423  0.872  1.0
  Cl  Cl28  1  0.069  0.037  0.229  1.0
  Cl  Cl29  1  0.931  0.963  0.771  1.0
  Cl  Cl30  1  0.121  0.329  0.699  1.0
  Cl  Cl31  1  0.879  0.671  0.301  1.0
  O  O32  1  0.340  0.557  0.586  1.0
  O  O33  1  0.660  0.443  0.414  1.0
  O  O34  1  0.616  0.204  0.492  1.0
  O  O35  1  0.384  0.796  0.508  1.0
[/CIF]
.
The material described by C8N2H3O2Cl3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,5-trichloro-3-cyano-6-hydroxybenzamide molecules. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one O(2) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(7), and one Cl(3) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one O(1) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(7) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(8), and one Cl(2) atom. In the sixth C site, C(6) is bonded in a distorted linear geometry to one C(4) and one N(1) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(4), and one Cl(1) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one C(6) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one H(2), and one H(3) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(3) and one H(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one C(1) and one H(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(7) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(5) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H3C8N2Cl3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.905
_cell_length_b   9.412
_cell_length_c   10.712
_cell_angle_alpha   108.599
_cell_angle_beta   86.267
_cell_angle_gamma   104.964
_symmetry_Int_Tables_number   1
_cell_volume   637.288
_cell_formula_units_Z   2
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  0.606  0.368  0.466  1.0
  H  H1  1  0.394  0.632  0.534  1.0
  H  H2  1  0.329  0.061  0.771  1.0
  H  H3  1  0.671  0.939  0.229  1.0
  H  H4  1  0.465  0.077  0.629  1.0
  H  H5  1  0.535  0.923  0.371  1.0
  C  C6  1  0.689  0.142  0.383  1.0
  C  C7  1  0.311  0.858  0.617  1.0
  C  C8  1  0.071  0.504  0.723  1.0
  C  C9  1  0.929  0.496  0.277  1.0
  C  C10  1  0.195  0.607  0.661  1.0
  C  C11  1  0.805  0.393  0.339  1.0
  C  C12  1  0.129  0.309  0.186  1.0
  C  C13  1  0.871  0.691  0.814  1.0
  C  C14  1  0.002  0.206  0.245  1.0
  C  C15  1  0.998  0.794  0.755  1.0
  C  C16  1  0.290  0.266  0.107  1.0
  C  C17  1  0.710  0.734  0.893  1.0
  C  C18  1  0.089  0.454  0.201  1.0
  C  C19  1  0.911  0.546  0.799  1.0
  C  C20  1  0.836  0.243  0.318  1.0
  C  C21  1  0.164  0.757  0.682  1.0
  N  N22  1  0.419  0.230  0.038  1.0
  N  N23  1  0.581  0.770  0.962  1.0
  N  N24  1  0.368  0.011  0.677  1.0
  N  N25  1  0.632  0.989  0.323  1.0
  Cl  Cl26  1  0.242  0.577  0.128  1.0
  Cl  Cl27  1  0.758  0.423  0.872  1.0
  Cl  Cl28  1  0.069  0.037  0.229  1.0
  Cl  Cl29  1  0.931  0.963  0.771  1.0
  Cl  Cl30  1  0.121  0.329  0.699  1.0
  Cl  Cl31  1  0.879  0.671  0.301  1.0
  O  O32  1  0.340  0.557  0.586  1.0
  O  O33  1  0.660  0.443  0.414  1.0
  O  O34  1  0.616  0.204  0.492  1.0
  O  O35  1  0.384  0.796  0.508  1.0
[/CIF]
.