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Geometry for C2N2 (Cyanogen) 1Σg D*H

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

PBEPBEultrafine/aug-cc-pVTZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6870
C2 0.0000 0.0000 -0.6870
N3 0.0000 0.0000 1.8541
N4 0.0000 0.0000 -1.8541
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3741 1.1671 2.5411
C2 1.3741 2.5411 1.1671
N3 1.1671 2.5411 3.7082
N4 2.5411 1.1671 3.7082
Maximum atom distance is 3.7082Å 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.