The crystal structure described by C3N crystallizes in the tetragonal P4/mmm space group. The structure consists of one 1,1-dimethylaziridinium molecule and one ammonia atom inside a C10N2N framework. In the C10N2N framework, there are five inequivalent C sites. In the first C site, C(2) is bonded in a linear geometry to one N(5) and one N(6) atom. In the second C site, C(3) is bonded in a distorted single-bond geometry to four equivalent C(5), one N(1), and one N(6) atom. In the third C site, C(4) is bonded in a linear geometry to one N(3) and one N(6) atom. In the fourth C site, C(4) is bonded in a linear geometry to one N(3) and one N(6) atom. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one C(5) and two equivalent C(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a square co-planar geometry to four equivalent C(3) atoms. In the second N site, N(3) is bonded in a square co-planar geometry to four C(4,4) atoms. In the third N site, N(5) is bonded in a linear geometry to two equivalent C(2) atoms. In the fourth N site, N(6) is bonded in a distorted octahedral geometry to two equivalent C(2); two equivalent C(3); and two C(4,4) atoms. is represented by the CIF card [CIF]
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.421
_cell_length_b   7.421
_cell_length_c   6.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.455
_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  0.313  0.500  0.500  1.0
  C  C1  1  0.687  0.500  0.500  1.0
  C  C2  1  0.500  0.687  0.500  1.0
  C  C3  1  0.500  0.313  0.500  1.0
  C  C4  1  0.000  0.500  0.703  1.0
  C  C5  1  0.500  0.000  0.703  1.0
  C  C6  1  0.000  0.500  0.297  1.0
  C  C7  1  0.500  0.000  0.297  1.0
  C  C8  1  0.211  0.000  0.000  1.0
  C  C9  1  0.789  0.000  0.000  1.0
  C  C10  1  0.000  0.789  0.000  1.0
  C  C11  1  0.000  0.211  0.000  1.0
  C  C12  1  0.273  0.500  0.000  1.0
  C  C13  1  0.727  0.500  0.000  1.0
  C  C14  1  0.500  0.727  0.000  1.0
  C  C15  1  0.500  0.273  0.000  1.0
  C  C16  1  0.206  0.206  0.883  1.0
  C  C17  1  0.794  0.794  0.883  1.0
  C  C18  1  0.206  0.794  0.883  1.0
  C  C19  1  0.794  0.206  0.883  1.0
  C  C20  1  0.794  0.794  0.117  1.0
  C  C21  1  0.206  0.206  0.117  1.0
  C  C22  1  0.794  0.206  0.117  1.0
  C  C23  1  0.206  0.794  0.117  1.0
  N  N24  1  0.000  0.000  0.000  1.0
  N  N25  1  0.000  0.000  0.500  1.0
  N  N26  1  0.500  0.500  0.000  1.0
  N  N27  1  0.500  0.500  0.500  1.0
  N  N28  1  0.000  0.500  0.500  1.0
  N  N29  1  0.500  0.000  0.500  1.0
  N  N30  1  0.000  0.500  0.000  1.0
  N  N31  1  0.500  0.000  0.000  1.0
[/CIF]
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The crystal structure described by C3N crystallizes in the tetragonal P4/mmm space group. The structure consists of one 1,1-dimethylaziridinium molecule and one ammonia atom inside a C10N2N framework. In the C10N2N framework, there are five inequivalent C sites. In the first C site, C(2) is bonded in a linear geometry to one N(5) and one N(6) atom. In the second C site, C(3) is bonded in a distorted single-bond geometry to four equivalent C(5), one N(1), and one N(6) atom. In the third C site, C(4) is bonded in a linear geometry to one N(3) and one N(6) atom. In the fourth C site, C(4) is bonded in a linear geometry to one N(3) and one N(6) atom. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one C(5) and two equivalent C(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a square co-planar geometry to four equivalent C(3) atoms. In the second N site, N(3) is bonded in a square co-planar geometry to four C(4,4) atoms. In the third N site, N(5) is bonded in a linear geometry to two equivalent C(2) atoms. In the fourth N site, N(6) is bonded in a distorted octahedral geometry to two equivalent C(2); two equivalent C(3); and two C(4,4) atoms. is represented by the CIF card [CIF]
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.421
_cell_length_b   7.421
_cell_length_c   6.091
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   335.455
_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  0.313  0.500  0.500  1.0
  C  C1  1  0.687  0.500  0.500  1.0
  C  C2  1  0.500  0.687  0.500  1.0
  C  C3  1  0.500  0.313  0.500  1.0
  C  C4  1  0.000  0.500  0.703  1.0
  C  C5  1  0.500  0.000  0.703  1.0
  C  C6  1  0.000  0.500  0.297  1.0
  C  C7  1  0.500  0.000  0.297  1.0
  C  C8  1  0.211  0.000  0.000  1.0
  C  C9  1  0.789  0.000  0.000  1.0
  C  C10  1  0.000  0.789  0.000  1.0
  C  C11  1  0.000  0.211  0.000  1.0
  C  C12  1  0.273  0.500  0.000  1.0
  C  C13  1  0.727  0.500  0.000  1.0
  C  C14  1  0.500  0.727  0.000  1.0
  C  C15  1  0.500  0.273  0.000  1.0
  C  C16  1  0.206  0.206  0.883  1.0
  C  C17  1  0.794  0.794  0.883  1.0
  C  C18  1  0.206  0.794  0.883  1.0
  C  C19  1  0.794  0.206  0.883  1.0
  C  C20  1  0.794  0.794  0.117  1.0
  C  C21  1  0.206  0.206  0.117  1.0
  C  C22  1  0.794  0.206  0.117  1.0
  C  C23  1  0.206  0.794  0.117  1.0
  N  N24  1  0.000  0.000  0.000  1.0
  N  N25  1  0.000  0.000  0.500  1.0
  N  N26  1  0.500  0.500  0.000  1.0
  N  N27  1  0.500  0.500  0.500  1.0
  N  N28  1  0.000  0.500  0.500  1.0
  N  N29  1  0.500  0.000  0.500  1.0
  N  N30  1  0.000  0.500  0.000  1.0
  N  N31  1  0.500  0.000  0.000  1.0
[/CIF]
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