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Geometry for HN=C=C(CN)2 (Dicyanoketenimine) 1A' CS

1910171554
InChI=1S/C4HN3/c5-1-4(2-6)3-7/h5H INChIKey=

PM3


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0129 -0.0409 0.0000   0.0004 -0.0129 -0.0409
C2 -0.0129 1.2929 0.0000   0.0004 -0.0129 1.2929
N3 0.1490 2.5057 0.0000   -0.0044 0.1489 2.5057
C4 -0.0129 -0.7673 1.2183   1.2181 0.0232 -0.7673
C5 -0.0129 -0.7673 -1.2183   -1.2174 -0.0490 -0.7673
N6 -0.0129 -1.3600 2.2155   2.2150 0.0528 -1.3600
N7 -0.0129 -1.3600 -2.2155   -2.2142 -0.0786 -1.3600
H8 -0.5523 3.1953 0.0000   0.0164 -0.5521 3.1953
Atom - Atom Distances (Å)
  C1 C2 N3 C4 C5 N6 N7 H8
C1 1.3338 2.5518 1.4184 1.4184 2.5785 2.5785 3.2809
C2 1.3338 1.2236 2.3934 2.3934 3.4564 3.4564 1.9774
N3 2.5518 1.2236 3.4961 3.4961 4.4586 4.4586 0.9835
C4 1.4184 2.3934 3.4961 2.4366 1.1601 3.4846 4.1806
C5 1.4184 2.3934 3.4961 2.4366 3.4846 1.1601 4.1806
N6 2.5785 3.4564 4.4586 1.1601 3.4846 4.4311 5.0942
N7 2.5785 3.4564 4.4586 3.4846 1.1601 4.4311 5.0942
H8 3.2809 1.9774 0.9835 4.1806 4.1806 5.0942 5.0942
Maximum atom distance is 5.0942Å between atoms N6 and H8.
picture of Dicyanoketenimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 172.398 C1 C4 N6 179.924
C1 C5 N7 179.924 C2 C1 C4 120.803
C2 C1 C5 120.803 C4 C1 C5 118.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 N3 H8 126.917

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