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Geometry for H2CNCN (cyanamide, methylene) 1A'

1910171554
InChI=1S/C2H2N2/c1-4-2-3/h1H2 INChIKey=

M06-2X/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0867 -1.5828 0.0000   -1.5561 0.3024 0.0000
N2 -0.5861 -0.4925 0.0000   -0.5681 -0.5132 0.0000
C3 0.0000 0.7270 0.0000   0.7201 -0.0995 0.0000
N4 0.4095 1.8186 0.0000   1.8575 0.1568 0.0000
H5 -0.4596 -2.5189 0.0000   -2.5580 -0.1106 0.0000
H6 1.1759 -1.6286 0.0000   -1.4524 1.3877 0.0000
Atom - Atom Distances (Å)
  C1 N2 C3 N4 H5 H6
C1 1.2811 2.3114 3.4167 1.0838 1.0902
N2 1.2811 1.3530 2.5164 2.0303 2.0965
C3 2.3114 1.3530 1.1659 3.2782 2.6328
N4 3.4167 2.5164 1.1659 4.4236 3.5314
H5 1.0838 2.0303 3.2782 4.4236 1.8621
H6 1.0902 2.0965 2.6328 3.5314 1.8621
Maximum atom distance is 4.4236Å between atoms N4 and H5.
picture of cyanamide, methylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 122.657 N2 C3 N4 174.892
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H5 118.057 N2 C1 H6 124.082
H5 C1 H6 117.860

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