The compound described by C4NHO3Cl2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 4,5-dichloro-3-oxauracil molecules. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(3) atom. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one Cl(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one Cl(1) atom. N(1) is bonded in a trigonal planar geometry to one C(1), one C(3), and one H(1) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(4) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HC4NCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   10.689
_cell_length_c   12.857
_cell_angle_alpha   71.449
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   733.755
_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  0.388  0.606  0.499  1.0
  H  H1  1  0.612  0.394  0.501  1.0
  H  H2  1  0.888  0.394  0.001  1.0
  H  H3  1  0.112  0.606  0.999  1.0
  C  C4  1  0.146  0.432  0.882  1.0
  C  C5  1  0.854  0.568  0.118  1.0
  C  C6  1  0.646  0.568  0.618  1.0
  C  C7  1  0.354  0.432  0.382  1.0
  C  C8  1  0.158  0.276  0.775  1.0
  C  C9  1  0.842  0.724  0.225  1.0
  C  C10  1  0.658  0.724  0.725  1.0
  C  C11  1  0.342  0.276  0.275  1.0
  C  C12  1  0.371  0.750  0.578  1.0
  C  C13  1  0.629  0.250  0.422  1.0
  C  C14  1  0.871  0.250  0.922  1.0
  C  C15  1  0.129  0.750  0.078  1.0
  C  C16  1  0.465  0.795  0.657  1.0
  C  C17  1  0.535  0.205  0.343  1.0
  C  C18  1  0.965  0.205  0.843  1.0
  C  C19  1  0.035  0.795  0.157  1.0
  N  N20  1  0.459  0.639  0.560  1.0
  N  N21  1  0.541  0.361  0.440  1.0
  N  N22  1  0.959  0.361  0.940  1.0
  N  N23  1  0.041  0.639  0.060  1.0
  Cl  Cl24  1  0.364  0.934  0.681  1.0
  Cl  Cl25  1  0.636  0.066  0.319  1.0
  Cl  Cl26  1  0.864  0.066  0.819  1.0
  Cl  Cl27  1  0.136  0.934  0.181  1.0
  Cl  Cl28  1  0.357  0.825  0.996  1.0
  Cl  Cl29  1  0.643  0.175  0.004  1.0
  Cl  Cl30  1  0.857  0.175  0.504  1.0
  Cl  Cl31  1  0.143  0.825  0.496  1.0
  O  O32  1  0.231  0.529  0.899  1.0
  O  O33  1  0.769  0.471  0.101  1.0
  O  O34  1  0.731  0.471  0.601  1.0
  O  O35  1  0.269  0.529  0.399  1.0
  O  O36  1  0.239  0.389  0.801  1.0
  O  O37  1  0.761  0.611  0.199  1.0
  O  O38  1  0.739  0.611  0.699  1.0
  O  O39  1  0.261  0.389  0.301  1.0
  O  O40  1  0.258  0.251  0.701  1.0
  O  O41  1  0.742  0.749  0.299  1.0
  O  O42  1  0.758  0.749  0.799  1.0
  O  O43  1  0.242  0.251  0.201  1.0
[/CIF]
.
The compound described by C4NHO3Cl2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 4,5-dichloro-3-oxauracil molecules. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one O(1), and one O(2) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(3) atom. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one Cl(2) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one Cl(1) atom. N(1) is bonded in a trigonal planar geometry to one C(1), one C(3), and one H(1) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(4) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HC4NCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   10.689
_cell_length_c   12.857
_cell_angle_alpha   71.449
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   733.755
_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  0.388  0.606  0.499  1.0
  H  H1  1  0.612  0.394  0.501  1.0
  H  H2  1  0.888  0.394  0.001  1.0
  H  H3  1  0.112  0.606  0.999  1.0
  C  C4  1  0.146  0.432  0.882  1.0
  C  C5  1  0.854  0.568  0.118  1.0
  C  C6  1  0.646  0.568  0.618  1.0
  C  C7  1  0.354  0.432  0.382  1.0
  C  C8  1  0.158  0.276  0.775  1.0
  C  C9  1  0.842  0.724  0.225  1.0
  C  C10  1  0.658  0.724  0.725  1.0
  C  C11  1  0.342  0.276  0.275  1.0
  C  C12  1  0.371  0.750  0.578  1.0
  C  C13  1  0.629  0.250  0.422  1.0
  C  C14  1  0.871  0.250  0.922  1.0
  C  C15  1  0.129  0.750  0.078  1.0
  C  C16  1  0.465  0.795  0.657  1.0
  C  C17  1  0.535  0.205  0.343  1.0
  C  C18  1  0.965  0.205  0.843  1.0
  C  C19  1  0.035  0.795  0.157  1.0
  N  N20  1  0.459  0.639  0.560  1.0
  N  N21  1  0.541  0.361  0.440  1.0
  N  N22  1  0.959  0.361  0.940  1.0
  N  N23  1  0.041  0.639  0.060  1.0
  Cl  Cl24  1  0.364  0.934  0.681  1.0
  Cl  Cl25  1  0.636  0.066  0.319  1.0
  Cl  Cl26  1  0.864  0.066  0.819  1.0
  Cl  Cl27  1  0.136  0.934  0.181  1.0
  Cl  Cl28  1  0.357  0.825  0.996  1.0
  Cl  Cl29  1  0.643  0.175  0.004  1.0
  Cl  Cl30  1  0.857  0.175  0.504  1.0
  Cl  Cl31  1  0.143  0.825  0.496  1.0
  O  O32  1  0.231  0.529  0.899  1.0
  O  O33  1  0.769  0.471  0.101  1.0
  O  O34  1  0.731  0.471  0.601  1.0
  O  O35  1  0.269  0.529  0.399  1.0
  O  O36  1  0.239  0.389  0.801  1.0
  O  O37  1  0.761  0.611  0.199  1.0
  O  O38  1  0.739  0.611  0.699  1.0
  O  O39  1  0.261  0.389  0.301  1.0
  O  O40  1  0.258  0.251  0.701  1.0
  O  O41  1  0.742  0.749  0.299  1.0
  O  O42  1  0.758  0.749  0.799  1.0
  O  O43  1  0.242  0.251  0.201  1.0
[/CIF]
.