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/cc-pVDZ


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.6908
C2 0.0000 0.0000 -0.6908
N3 0.0000 0.0000 1.8550
N4 0.0000 0.0000 -1.8550
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.3815 1.1642 2.5457
C2 1.3815 2.5457 1.1642
N3 1.1642 2.5457 3.7100
N4 2.5457 1.1642 3.7100
Maximum atom distance is 3.7100Å 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.