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Geometry for H2CNCH (methyleneaminomethylene) 1A' CS

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

mPW1PW91/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1104 -1.1661 0.0000   -1.1712 0.0000 -0.0149
N2 0.0000 0.0994 0.0000   0.0988 0.0000 0.0106
C3 -0.2575 1.2838 0.0000   1.3040 0.0000 -0.1188
H4 0.1547 -1.6967 0.9411   -1.7035 0.9411 -0.0276
H5 0.1547 -1.6967 -0.9411   -1.7035 -0.9411 -0.0276
H6 0.5733 1.9918 0.0000   1.9191 0.0000 0.7829
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.2703 2.4774 1.0812 1.0812 3.1916
N2 1.2703 1.2121 2.0336 2.0336 1.9773
C3 2.4774 1.2121 3.1526 3.1526 1.0915
H4 1.0812 2.0336 3.1526 1.8821 3.8296
H5 1.0812 2.0336 3.1526 1.8821 3.8296
H6 3.1916 1.9773 1.0915 3.8296 3.8296
Maximum atom distance is 3.8296Å 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 172.720
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 119.500 N2 C1 H5 119.500
N2 C3 H6 118.170 H4 C1 H5 120.999

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