The crystal structure described by C3O2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydroxypropinol molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(4) and one O(1) atom. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one O(2) atom. In the third C site, C(4) is bonded in a linear geometry to one C(1) and one C(3) atom. There are two 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 single-bond geometry to one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   10.287
_cell_length_c   12.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   704.268
_cell_formula_units_Z   8
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
  C  C0  1  0.198  0.364  0.750  1.0
  C  C1  1  0.687  0.924  0.503  1.0
  C  C2  1  0.187  0.576  0.497  1.0
  C  C3  1  0.313  0.076  0.497  1.0
  C  C4  1  0.698  0.136  0.250  1.0
  C  C5  1  0.324  0.289  0.250  1.0
  C  C6  1  0.813  0.424  0.997  1.0
  C  C7  1  0.676  0.711  0.750  1.0
  C  C8  1  0.302  0.864  0.750  1.0
  C  C9  1  0.513  0.214  0.250  1.0
  C  C10  1  0.013  0.286  0.750  1.0
  C  C11  1  0.487  0.786  0.750  1.0
  C  C12  1  0.802  0.636  0.250  1.0
  C  C13  1  0.000  0.500  0.500  1.0
  C  C14  1  0.687  0.924  0.997  1.0
  C  C15  1  0.813  0.424  0.503  1.0
  C  C16  1  0.176  0.789  0.250  1.0
  C  C17  1  0.824  0.211  0.750  1.0
  C  C18  1  0.000  0.500  0.000  1.0
  C  C19  1  0.313  0.076  0.003  1.0
  C  C20  1  0.500  0.000  0.500  1.0
  C  C21  1  0.987  0.714  0.250  1.0
  C  C22  1  0.500  0.000  0.000  1.0
  C  C23  1  0.187  0.576  0.003  1.0
  O  O24  1  0.869  0.065  0.250  1.0
  O  O25  1  0.150  0.358  0.250  1.0
  O  O26  1  0.860  0.854  0.506  1.0
  O  O27  1  0.369  0.435  0.750  1.0
  O  O28  1  0.131  0.935  0.750  1.0
  O  O29  1  0.360  0.646  0.494  1.0
  O  O30  1  0.640  0.354  0.994  1.0
  O  O31  1  0.350  0.858  0.250  1.0
  O  O32  1  0.860  0.854  0.994  1.0
  O  O33  1  0.650  0.142  0.750  1.0
  O  O34  1  0.140  0.146  0.494  1.0
  O  O35  1  0.360  0.646  0.006  1.0
  O  O36  1  0.631  0.565  0.250  1.0
  O  O37  1  0.850  0.642  0.750  1.0
  O  O38  1  0.140  0.146  0.006  1.0
  O  O39  1  0.640  0.354  0.506  1.0
[/CIF]
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The crystal structure described by C3O2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydroxypropinol molecules. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(4) and one O(1) atom. In the second C site, C(3) is bonded in a distorted single-bond geometry to one C(4) and one O(2) atom. In the third C site, C(4) is bonded in a linear geometry to one C(1) and one C(3) atom. There are two 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 single-bond geometry to one C(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   10.287
_cell_length_c   12.720
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   704.268
_cell_formula_units_Z   8
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
  C  C0  1  0.198  0.364  0.750  1.0
  C  C1  1  0.687  0.924  0.503  1.0
  C  C2  1  0.187  0.576  0.497  1.0
  C  C3  1  0.313  0.076  0.497  1.0
  C  C4  1  0.698  0.136  0.250  1.0
  C  C5  1  0.324  0.289  0.250  1.0
  C  C6  1  0.813  0.424  0.997  1.0
  C  C7  1  0.676  0.711  0.750  1.0
  C  C8  1  0.302  0.864  0.750  1.0
  C  C9  1  0.513  0.214  0.250  1.0
  C  C10  1  0.013  0.286  0.750  1.0
  C  C11  1  0.487  0.786  0.750  1.0
  C  C12  1  0.802  0.636  0.250  1.0
  C  C13  1  0.000  0.500  0.500  1.0
  C  C14  1  0.687  0.924  0.997  1.0
  C  C15  1  0.813  0.424  0.503  1.0
  C  C16  1  0.176  0.789  0.250  1.0
  C  C17  1  0.824  0.211  0.750  1.0
  C  C18  1  0.000  0.500  0.000  1.0
  C  C19  1  0.313  0.076  0.003  1.0
  C  C20  1  0.500  0.000  0.500  1.0
  C  C21  1  0.987  0.714  0.250  1.0
  C  C22  1  0.500  0.000  0.000  1.0
  C  C23  1  0.187  0.576  0.003  1.0
  O  O24  1  0.869  0.065  0.250  1.0
  O  O25  1  0.150  0.358  0.250  1.0
  O  O26  1  0.860  0.854  0.506  1.0
  O  O27  1  0.369  0.435  0.750  1.0
  O  O28  1  0.131  0.935  0.750  1.0
  O  O29  1  0.360  0.646  0.494  1.0
  O  O30  1  0.640  0.354  0.994  1.0
  O  O31  1  0.350  0.858  0.250  1.0
  O  O32  1  0.860  0.854  0.994  1.0
  O  O33  1  0.650  0.142  0.750  1.0
  O  O34  1  0.140  0.146  0.494  1.0
  O  O35  1  0.360  0.646  0.006  1.0
  O  O36  1  0.631  0.565  0.250  1.0
  O  O37  1  0.850  0.642  0.750  1.0
  O  O38  1  0.140  0.146  0.006  1.0
  O  O39  1  0.640  0.354  0.506  1.0
[/CIF]
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