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Geometry for C2N2 (Cyanogen) 1Σg D*H

1910171554
InChI=1S/C2N2/c3-1-2-4 INChIKey=JMANVNJQNLATNU-UHFFFAOYSA-N

PBE1PBE/cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6909
C2 0.0000 0.0000 -0.6909
N3 0.0000 0.0000 1.8531
N4 0.0000 0.0000 -1.8531
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3817 1.1622 2.5439
C2 1.3817 2.5439 1.1622
N3 1.1622 2.5439 3.7061
N4 2.5439 1.1622 3.7061
Maximum atom distance is 3.7061Å between atoms N3 and N4.
picture of Cyanogen
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 180.000 C2 C1 N3 180.000

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.