The crystal structure described by C2N4H4S is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four schembl10943191 molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(1) atom. There are four inequivalent N sites. In the first N site, N(2) is bonded in a water-like geometry to one C(1) and one S(1) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one C(2), one H(2), and one H(4) atom. In the third N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(1), and one H(3) atom. In the fourth N site, N(1) is bonded in a water-like geometry to one C(1) and one C(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(3) atom. S(1) is bonded in an L-shaped geometry to one C(2) and one N(2) atom. is represented by the CIF file [CIF]
data_H4C2SN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.902
_cell_length_b   4.009
_cell_length_c   11.403
_cell_angle_alpha   73.069
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.709
_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  0.086  0.861  0.940  1.0
  H  H1  1  0.914  0.139  0.060  1.0
  H  H2  1  0.586  0.139  0.560  1.0
  H  H3  1  0.414  0.861  0.440  1.0
  H  H4  1  0.761  0.826  0.522  1.0
  H  H5  1  0.239  0.174  0.478  1.0
  H  H6  1  0.261  0.174  0.978  1.0
  H  H7  1  0.739  0.826  0.022  1.0
  H  H8  1  0.129  0.864  0.793  1.0
  H  H9  1  0.871  0.136  0.207  1.0
  H  H10  1  0.629  0.136  0.707  1.0
  H  H11  1  0.371  0.864  0.293  1.0
  H  H12  1  0.104  0.314  0.537  1.0
  H  H13  1  0.896  0.686  0.463  1.0
  H  H14  1  0.604  0.686  0.963  1.0
  H  H15  1  0.396  0.314  0.037  1.0
  C  C16  1  0.488  0.812  0.700  1.0
  C  C17  1  0.512  0.188  0.300  1.0
  C  C18  1  0.988  0.188  0.800  1.0
  C  C19  1  0.012  0.812  0.200  1.0
  C  C20  1  0.376  0.490  0.851  1.0
  C  C21  1  0.624  0.510  0.149  1.0
  C  C22  1  0.876  0.510  0.649  1.0
  C  C23  1  0.124  0.490  0.351  1.0
  S  S24  1  0.296  0.491  0.717  1.0
  S  S25  1  0.704  0.509  0.283  1.0
  S  S26  1  0.796  0.509  0.783  1.0
  S  S27  1  0.204  0.491  0.217  1.0
  N  N28  1  0.479  0.675  0.825  1.0
  N  N29  1  0.521  0.325  0.175  1.0
  N  N30  1  0.979  0.325  0.675  1.0
  N  N31  1  0.021  0.675  0.325  1.0
  N  N32  1  0.401  0.747  0.627  1.0
  N  N33  1  0.599  0.253  0.373  1.0
  N  N34  1  0.901  0.253  0.873  1.0
  N  N35  1  0.099  0.747  0.127  1.0
  N  N36  1  0.838  0.673  0.535  1.0
  N  N37  1  0.162  0.327  0.465  1.0
  N  N38  1  0.338  0.327  0.965  1.0
  N  N39  1  0.662  0.673  0.035  1.0
  N  N40  1  0.090  0.996  0.848  1.0
  N  N41  1  0.910  0.004  0.152  1.0
  N  N42  1  0.590  0.004  0.652  1.0
  N  N43  1  0.410  0.996  0.348  1.0
[/CIF]
.
The crystal structure described by C2N4H4S is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four schembl10943191 molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(1) atom. There are four inequivalent N sites. In the first N site, N(2) is bonded in a water-like geometry to one C(1) and one S(1) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one C(2), one H(2), and one H(4) atom. In the third N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(1), and one H(3) atom. In the fourth N site, N(1) is bonded in a water-like geometry to one C(1) and one C(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(3) atom. S(1) is bonded in an L-shaped geometry to one C(2) and one N(2) atom. is represented by the CIF file [CIF]
data_H4C2SN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.902
_cell_length_b   4.009
_cell_length_c   11.403
_cell_angle_alpha   73.069
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   476.709
_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  0.086  0.861  0.940  1.0
  H  H1  1  0.914  0.139  0.060  1.0
  H  H2  1  0.586  0.139  0.560  1.0
  H  H3  1  0.414  0.861  0.440  1.0
  H  H4  1  0.761  0.826  0.522  1.0
  H  H5  1  0.239  0.174  0.478  1.0
  H  H6  1  0.261  0.174  0.978  1.0
  H  H7  1  0.739  0.826  0.022  1.0
  H  H8  1  0.129  0.864  0.793  1.0
  H  H9  1  0.871  0.136  0.207  1.0
  H  H10  1  0.629  0.136  0.707  1.0
  H  H11  1  0.371  0.864  0.293  1.0
  H  H12  1  0.104  0.314  0.537  1.0
  H  H13  1  0.896  0.686  0.463  1.0
  H  H14  1  0.604  0.686  0.963  1.0
  H  H15  1  0.396  0.314  0.037  1.0
  C  C16  1  0.488  0.812  0.700  1.0
  C  C17  1  0.512  0.188  0.300  1.0
  C  C18  1  0.988  0.188  0.800  1.0
  C  C19  1  0.012  0.812  0.200  1.0
  C  C20  1  0.376  0.490  0.851  1.0
  C  C21  1  0.624  0.510  0.149  1.0
  C  C22  1  0.876  0.510  0.649  1.0
  C  C23  1  0.124  0.490  0.351  1.0
  S  S24  1  0.296  0.491  0.717  1.0
  S  S25  1  0.704  0.509  0.283  1.0
  S  S26  1  0.796  0.509  0.783  1.0
  S  S27  1  0.204  0.491  0.217  1.0
  N  N28  1  0.479  0.675  0.825  1.0
  N  N29  1  0.521  0.325  0.175  1.0
  N  N30  1  0.979  0.325  0.675  1.0
  N  N31  1  0.021  0.675  0.325  1.0
  N  N32  1  0.401  0.747  0.627  1.0
  N  N33  1  0.599  0.253  0.373  1.0
  N  N34  1  0.901  0.253  0.873  1.0
  N  N35  1  0.099  0.747  0.127  1.0
  N  N36  1  0.838  0.673  0.535  1.0
  N  N37  1  0.162  0.327  0.465  1.0
  N  N38  1  0.338  0.327  0.965  1.0
  N  N39  1  0.662  0.673  0.035  1.0
  N  N40  1  0.090  0.996  0.848  1.0
  N  N41  1  0.910  0.004  0.152  1.0
  N  N42  1  0.590  0.004  0.652  1.0
  N  N43  1  0.410  0.996  0.348  1.0
[/CIF]
.