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Geometry for H2CNCN (cyanamide, methylene) 1A'

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

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1135 -1.5762 0.0000   -1.5501 0.3071 0.0000
N2 -0.5908 -0.4959 0.0000   -0.5650 -0.5251 0.0000
C3 0.0000 0.7094 0.0000   0.7039 -0.0876 0.0000
N4 0.3803 1.8288 0.0000   1.8618 0.1517 0.0000
H5 -0.4235 -2.5330 0.0000   -2.5659 -0.1076 0.0000
H6 1.2160 -1.5967 0.0000   -1.4344 1.4037 0.0000
Atom - Atom Distances (Å)
  C1 N2 C3 N4 H5 H6
C1 1.2896 2.2883 3.4154 1.0972 1.1027
N2 1.2896 1.3423 2.5194 2.0439 2.1157
C3 2.2883 1.3423 1.1823 3.2699 2.6070
N4 3.4154 2.5194 1.1823 4.4352 3.5259
H5 1.0972 2.0439 3.2699 4.4352 1.8880
H6 1.1027 2.1157 2.6070 3.5259 1.8880
Maximum atom distance is 4.4352Å 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 120.783 N2 C3 N4 172.652
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H5 117.595 N2 C1 H6 124.169
H5 C1 H6 118.236

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