return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Geometry for C2N2 (Cyanogen) 1Σg D*H

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

B3PW91/3-21G*


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6812
C2 0.0000 0.0000 -0.6812
N3 0.0000 0.0000 1.8489
N4 0.0000 0.0000 -1.8489
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3624 1.1677 2.5301
C2 1.3624 2.5301 1.1677
N3 1.1677 2.5301 3.6978
N4 2.5301 1.1677 3.6978
Maximum atom distance is 3.6978Å 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.