The material described by CH3C2N4H5S3O5 is Indium-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four 02329_fluka molecules and four C2N4H5S3O5 clusters. In each C2N4H5S3O5 cluster, there are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2), one S(1), and one S(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(2) and one N(3) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one C(1), one N(2), and one H(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one H(4), one H(5), and one S(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one N(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(4) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(1) and one C(2) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one C(2), one N(4), one O(1), and one O(2) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(3) and one S(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H8C3S3N4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.625
_cell_length_b   10.247
_cell_length_c   10.391
_cell_angle_alpha   88.039
_cell_angle_beta   74.296
_cell_angle_gamma   82.736
_symmetry_Int_Tables_number   1
_cell_volume   571.936
_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  0.811  0.846  0.056  1.0
  H  H1  1  0.867  0.346  0.944  1.0
  H  H2  1  0.827  0.738  0.920  1.0
  H  H3  1  0.747  0.238  0.080  1.0
  H  H4  1  0.472  0.828  0.270  1.0
  H  H5  1  0.742  0.328  0.730  1.0
  H  H6  1  0.291  0.316  0.336  1.0
  H  H7  1  0.627  0.816  0.664  1.0
  H  H8  1  0.056  0.408  0.461  1.0
  H  H9  1  0.517  0.908  0.539  1.0
  H  H10  1  0.050  0.125  0.327  1.0
  H  H11  1  0.377  0.625  0.673  1.0
  H  H12  1  0.805  0.099  0.473  1.0
  H  H13  1  0.278  0.599  0.527  1.0
  H  H14  1  0.020  0.962  0.393  1.0
  H  H15  1  0.413  0.462  0.607  1.0
  C  C16  1  0.558  0.714  0.091  1.0
  C  C17  1  0.649  0.214  0.909  1.0
  C  C18  1  0.232  0.586  0.203  1.0
  C  C19  1  0.435  0.086  0.797  1.0
  C  C20  1  0.919  0.057  0.378  1.0
  C  C21  1  0.297  0.557  0.622  1.0
  S  S22  1  0.438  0.581  0.044  1.0
  S  S23  1  0.482  0.081  0.956  1.0
  S  S24  1  0.031  0.459  0.251  1.0
  S  S25  1  0.282  0.959  0.749  1.0
  S  S26  1  0.721  0.034  0.275  1.0
  S  S27  1  0.997  0.534  0.725  1.0
  N  N28  1  0.746  0.771  0.016  1.0
  N  N29  1  0.762  0.271  0.984  1.0
  N  N30  1  0.249  0.679  0.281  1.0
  N  N31  1  0.530  0.179  0.719  1.0
  N  N32  1  0.430  0.751  0.217  1.0
  N  N33  1  0.647  0.251  0.783  1.0
  N  N34  1  0.121  0.373  0.364  1.0
  N  N35  1  0.486  0.873  0.636  1.0
  O  O36  1  0.092  0.381  0.131  1.0
  O  O37  1  0.223  0.881  0.869  1.0
  O  O38  1  0.782  0.521  0.308  1.0
  O  O39  1  0.090  0.021  0.692  1.0
  O  O40  1  0.877  0.970  0.151  1.0
  O  O41  1  0.028  0.470  0.849  1.0
  O  O42  1  0.541  0.946  0.355  1.0
  O  O43  1  0.896  0.446  0.645  1.0
  O  O44  1  0.598  0.164  0.251  1.0
  O  O45  1  0.849  0.664  0.749  1.0
[/CIF]
.
The material described by CH3C2N4H5S3O5 is Indium-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four 02329_fluka molecules and four C2N4H5S3O5 clusters. In each C2N4H5S3O5 cluster, there are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2), one S(1), and one S(2) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(2) and one N(3) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one C(1), one N(2), and one H(3) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one H(4), one H(5), and one S(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one N(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(4) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to one C(1) and one C(2) atom. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one C(2), one N(4), one O(1), and one O(2) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one H(3) and one S(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_H8C3S3N4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.625
_cell_length_b   10.247
_cell_length_c   10.391
_cell_angle_alpha   88.039
_cell_angle_beta   74.296
_cell_angle_gamma   82.736
_symmetry_Int_Tables_number   1
_cell_volume   571.936
_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  0.811  0.846  0.056  1.0
  H  H1  1  0.867  0.346  0.944  1.0
  H  H2  1  0.827  0.738  0.920  1.0
  H  H3  1  0.747  0.238  0.080  1.0
  H  H4  1  0.472  0.828  0.270  1.0
  H  H5  1  0.742  0.328  0.730  1.0
  H  H6  1  0.291  0.316  0.336  1.0
  H  H7  1  0.627  0.816  0.664  1.0
  H  H8  1  0.056  0.408  0.461  1.0
  H  H9  1  0.517  0.908  0.539  1.0
  H  H10  1  0.050  0.125  0.327  1.0
  H  H11  1  0.377  0.625  0.673  1.0
  H  H12  1  0.805  0.099  0.473  1.0
  H  H13  1  0.278  0.599  0.527  1.0
  H  H14  1  0.020  0.962  0.393  1.0
  H  H15  1  0.413  0.462  0.607  1.0
  C  C16  1  0.558  0.714  0.091  1.0
  C  C17  1  0.649  0.214  0.909  1.0
  C  C18  1  0.232  0.586  0.203  1.0
  C  C19  1  0.435  0.086  0.797  1.0
  C  C20  1  0.919  0.057  0.378  1.0
  C  C21  1  0.297  0.557  0.622  1.0
  S  S22  1  0.438  0.581  0.044  1.0
  S  S23  1  0.482  0.081  0.956  1.0
  S  S24  1  0.031  0.459  0.251  1.0
  S  S25  1  0.282  0.959  0.749  1.0
  S  S26  1  0.721  0.034  0.275  1.0
  S  S27  1  0.997  0.534  0.725  1.0
  N  N28  1  0.746  0.771  0.016  1.0
  N  N29  1  0.762  0.271  0.984  1.0
  N  N30  1  0.249  0.679  0.281  1.0
  N  N31  1  0.530  0.179  0.719  1.0
  N  N32  1  0.430  0.751  0.217  1.0
  N  N33  1  0.647  0.251  0.783  1.0
  N  N34  1  0.121  0.373  0.364  1.0
  N  N35  1  0.486  0.873  0.636  1.0
  O  O36  1  0.092  0.381  0.131  1.0
  O  O37  1  0.223  0.881  0.869  1.0
  O  O38  1  0.782  0.521  0.308  1.0
  O  O39  1  0.090  0.021  0.692  1.0
  O  O40  1  0.877  0.970  0.151  1.0
  O  O41  1  0.028  0.470  0.849  1.0
  O  O42  1  0.541  0.946  0.355  1.0
  O  O43  1  0.896  0.446  0.645  1.0
  O  O44  1  0.598  0.164  0.251  1.0
  O  O45  1  0.849  0.664  0.749  1.0
[/CIF]
.