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Geometry for H2CNCH (methyleneaminomethylene) 1A' CS

1910171554
InChI=1S/C2H3N/c1-3-2/h1H,2H2 INChIKey=

BLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1734 -1.1767 0.0000   -1.1893 0.0000 -0.0163
N2 0.0000 0.1027 0.0000   0.1014 0.0000 0.0164
C3 -0.3303 1.2840 0.0000   1.3202 0.0000 -0.1215
H4 0.2430 -1.7083 0.9474   -1.7252 0.9474 -0.0323
H5 0.2430 -1.7083 -0.9474   -1.7252 -0.9474 -0.0323
H6 0.4556 2.0540 0.0000   1.9551 0.0000 0.7771
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.2910 2.5117 1.0886 1.0886 3.2429
N2 1.2910 1.2266 2.0582 2.0582 2.0038
C3 2.5117 1.2266 3.1906 3.1906 1.1003
H4 1.0886 2.0582 3.1906 1.8948 3.8855
H5 1.0886 2.0582 3.1906 1.8948 3.8855
H6 3.2429 2.0038 1.1003 3.8855 3.8855
Maximum atom distance is 3.8855Å between atoms H4 and H6.
picture of methyleneaminomethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 172.095
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 119.508 N2 C1 H5 119.508
N2 C3 H6 118.788 H4 C1 H5 120.984

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