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Geometry for H2CNCH (methyleneaminomethylene) 1A' CS

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6315 -1.0463 0.0000   0.1222 0.6196 -1.0463
N2 0.0000 0.1215 0.0000   0.0000 0.0000 0.1215
C3 -0.8667 1.0602 0.0000   -0.1678 -0.8503 1.0602
H4 0.9109 -1.5168 0.9603   1.1184 0.7078 -1.5168
H5 0.9109 -1.5168 -0.9603   -0.7658 1.0795 -1.5168
H6 -0.4108 2.0994 0.0000   -0.0795 -0.4030 2.0994
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.3275 2.5849 1.1052 1.1052 3.3138
N2 1.3275 1.2777 2.1061 2.1061 2.0201
C3 2.5849 1.2777 3.2746 3.2746 1.1347
H4 1.1052 2.1061 3.2746 1.9205 3.9680
H5 1.1052 2.1061 3.2746 1.9205 3.9680
H6 3.3138 2.0201 1.1347 3.9680 3.9680
Maximum atom distance is 3.9680Å 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 165.692
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 119.651 N2 C1 H5 119.651
N2 C3 H6 113.600 H4 C1 H5 120.647

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