data_H2C2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   4.97
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2C2N2O
_chemical_formula_sum   'H8 C8 N8 O4'
_cell_volume   290.53
_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  H8  1  0.7  0.73  0.12  1.0
  H  H9  1  0.15  0.24  0.54  1.0
  H  H10  1  0.33  0.24  0.93  1.0
  H  H11  1  0.52  0.73  0.35  1.0
  H  H12  1  0.85  0.24  0.63  1.0
  H  H13  1  0.04  0.73  0.05  1.0
  H  H14  1  0.22  0.73  0.44  1.0
  H  H15  1  0.67  0.24  0.86  1.0
  C  C0  1  0.22  0.73  0.88  1.0
  C  C1  1  0.19  0.24  0.23  1.0
  C  C2  1  0.37  0.24  0.24  1.0
  C  C3  1  0.04  0.73  0.59  1.0
  C  C4  1  0.33  0.24  0.39  1.0
  C  C5  1  0.99  0.73  0.74  1.0
  C  C6  1  0.17  0.73  0.75  1.0
  C  C7  1  0.14  0.24  0.1  1.0
  N  N16  1  0.92  0.24  0.86  1.0
  N  N17  1  0.4  0.73  0.7  1.0
  N  N18  1  0.22  0.73  0.77  1.0
  N  N19  1  0.1  0.24  0.62  1.0
  N  N20  1  0.26  0.73  0.37  1.0
  N  N21  1  0.15  0.24  0.21  1.0
  N  N22  1  0.96  0.24  0.28  1.0
  N  N23  1  0.44  0.73  0.12  1.0
  O  O24  1  0.82  0.24  0.08  1.0
  O  O25  1  0.63  0.24  0.39  1.0
  O  O26  1  0.73  0.73  0.59  1.0
  O  O27  1  0.55  0.73  0.9  1.0

data_H2C2N2O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.97
_cell_length_b   6.98
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   H2C2N2O
_chemical_formula_sum   'H8 C8 N8 O4'
_cell_volume   290.53
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.56  0.85  1.0
  H  H1  2  0.24  0.95  0.04  1.0
  H  H2  2  0.24  0.63  0.52  1.0
  H  H3  2  0.24  0.86  0.33  1.0
  C  C4  2  0.24  0.25  0.81  1.0
  C  C5  2  0.24  0.26  0.99  1.0
  C  C6  2  0.24  0.1  0.86  1.0
  C  C7  2  0.24  0.39  0.04  1.0
  N  N8  2  0.24  0.63  0.26  1.0
  N  N9  2  0.24  0.88  0.08  1.0
  N  N10  2  0.24  0.21  0.22  1.0
  N  N11  2  0.24  0.28  0.04  1.0
  O  O12  2  0.24  0.1  0.55  1.0
  O  O13  2  0.24  0.41  0.37  1.0

H H H H H H H H C C C C C C C C N N N N N N N N O O O O
H H H H H H H H C C C C C C C C N N N N N N N N O O O O 0 27 o o - 0 23 o o o 0 3 o o o 1 19 o o o 2 8 o o o 2 21 o o + 2 15 o o + 2 9 o o + 2 10 o o + 3 23 o o o 3 25 o + o 3 25 o o o 3 26 o o o 4 16 o o o 4 7 o o o 4 25 o o o 4 26 o o o 4 26 o - o 5 13 - o - 5 15 o o o 5 18 o o - 5 14 o o - 5 8 o o - 6 20 o o o 7 16 o o o 7 24 o o + 8 18 o o o 8 17 o o o 9 21 o o o 9 22 - o o 10 12 o o o 10 25 o o o 11 13 - o o 11 26 - o o 12 25 o o o 13 26 o o o 14 18 o o o 14 17 o o o 15 21 o o o 15 22 - o o 16 24 o o + 17 18 o o o 17 27 o o o 17 26 o o o 21 22 - o o 22 24 o o o 22 25 o o o 23 27 o o - 24 25 o o o 25 26 o - o 25 26 o o o 26 27 o o o 
C2H2N2O is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four 1333-74-0 atoms, two ammonia molecules, two water atoms, and two C4N3HO clusters. In each C4N3HO cluster, there are four inequivalent C sites. In the first C site, C(1) is bonded in a single-bond geometry to one N(2) and one N(3) atom. The C(1)-N(2) bond length is 1.93 Å. The C(1)-N(3) bond length is 0.76 Å. In the second C site, C(2) is bonded in a single-bond geometry to one C(3) and one N(3) atom. The C(2)-C(3) bond length is 1.53 Å. The C(2)-N(3) bond length is 0.39 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one C(4) atom. The C(3)-C(4) bond length is 1.07 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one H(4) and one O(1) atom. The N(1)-H(4) bond length is 1.71 Å. The N(1)-O(1) bond length is 1.79 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(1), one N(3), and one O(1) atom. The N(2)-N(3) bond length is 1.59 Å. The N(2)-O(1) bond length is 1.87 Å. In the third N site, N(3) is bonded in a water-like geometry to one C(1), one C(2), and one N(2) atom. H(4) is bonded in a single-bond geometry to one N(1) atom. O(1) is bonded in a water-like geometry to one N(1) and one N(2) atom.