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Geometry for NH2CN (cyanamide) 1A' Cs

1910171554
InChI=1S/CH2N2/c2-1-3/h2H2 INChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2217 0.0000   0.0000 0.0000 0.2217
N2 -0.0450 1.3922 0.0000   -0.0011 -0.0450 1.3922
N3 0.1178 -1.1344 0.0000   0.0030 0.1178 -1.1344
H4 -0.2549 -1.5676 0.8396   0.8329 -0.2760 -1.5676
H5 -0.2549 -1.5676 -0.8396   -0.8457 -0.2336 -1.5676
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5
C1 1.1714 1.3612 1.9928 1.9928
N2 1.1714 2.5318 3.0838 3.0838
N3 1.3612 2.5318 1.0156 1.0156
H4 1.9928 3.0838 1.0156 1.6792
H5 1.9928 3.0838 1.0156 1.6792
Maximum atom distance is 3.0838Å between atoms N2 and H4.
picture of cyanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 177.236
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H4 113.154 C1 N3 H5 113.154
H4 N3 H5 111.513

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