The material structure described by C3NI is alpha U structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two iodomethylaziridine molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 150 degrees geometry to one N(1) and one I(1) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to one C(2) and one N(1) atom. N(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. I(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3IN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.673
_cell_length_b   6.043
_cell_length_c   6.838
_cell_angle_alpha   65.767
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.793
_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
  C  C0  1  0.750  0.111  0.778  1.0
  C  C1  1  0.250  0.889  0.222  1.0
  C  C2  1  0.673  0.328  0.365  1.0
  C  C3  1  0.173  0.672  0.635  1.0
  C  C4  1  0.327  0.672  0.635  1.0
  C  C5  1  0.827  0.328  0.365  1.0
  I  I6  1  0.750  0.822  0.063  1.0
  I  I7  1  0.250  0.178  0.937  1.0
  N  N8  1  0.750  0.213  0.587  1.0
  N  N9  1  0.250  0.787  0.413  1.0
[/CIF]
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The material structure described by C3NI is alpha U structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two iodomethylaziridine molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 150 degrees geometry to one N(1) and one I(1) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to one C(2) and one N(1) atom. N(1) is bonded in a 3-coordinate geometry to one C(1) and two equivalent C(2) atoms. I(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_C3IN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.673
_cell_length_b   6.043
_cell_length_c   6.838
_cell_angle_alpha   65.767
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   326.793
_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
  C  C0  1  0.750  0.111  0.778  1.0
  C  C1  1  0.250  0.889  0.222  1.0
  C  C2  1  0.673  0.328  0.365  1.0
  C  C3  1  0.173  0.672  0.635  1.0
  C  C4  1  0.327  0.672  0.635  1.0
  C  C5  1  0.827  0.328  0.365  1.0
  I  I6  1  0.750  0.822  0.063  1.0
  I  I7  1  0.250  0.178  0.937  1.0
  N  N8  1  0.750  0.213  0.587  1.0
  N  N9  1  0.250  0.787  0.413  1.0
[/CIF]
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