return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for C2N2 (Cyanogen) 1Σg D*H

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

MP2/CEP-121G


Point group is D∞h
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0000 0.0000 0.7071
C2 0.0000 0.0000 -0.7071
N3 0.0000 0.0000 1.9279
N4 0.0000 0.0000 -1.9279
Atom - Atom Distances (Å)
  C1 C2 N3 N4
C1 1.4142 1.2208 2.6350
C2 1.4142 2.6350 1.2208
N3 1.2208 2.6350 3.8559
N4 2.6350 1.2208 3.8559
Maximum atom distance is 3.8559Å 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.