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Geometry for H2NCHCHNH2 (diaminoethylene) 1A C2

1910171554
InChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2/b2-1+ INChIKey=

QCISD/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3164 0.5908 0.0289   0.5445 0.3907 0.0289
C2 -0.3164 -0.5908 0.0289   -0.5445 -0.3907 0.0289
N3 -0.3164 1.8572 -0.1093   1.8826 -0.0714 -0.1093
N4 0.3164 -1.8572 -0.1093   -1.8826 0.0714 -0.1093
H5 1.4009 0.6359 0.0282   0.4477 1.4718 0.0282
H6 -1.4009 -0.6359 0.0282   -0.4477 -1.4718 0.0282
H7 -1.3238 1.7688 -0.0543   1.9264 -1.0817 -0.0543
H8 1.3238 -1.7688 -0.0543   -1.9264 1.0817 -0.0543
H9 -0.0198 2.4972 0.6179   2.4785 0.3061 0.6179
H10 0.0198 -2.4972 0.6179   -2.4785 -0.3061 0.6179
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3404 1.4224 2.4519 1.0854 2.1104 2.0211 2.5670 2.0235 3.1577
C2 1.3404 2.4519 1.4224 2.1104 1.0854 2.5670 2.0211 3.1577 2.0235
N3 1.4224 2.4519 3.7679 2.1118 2.7222 1.0128 3.9801 1.0131 4.4275
N4 2.4519 1.4224 3.7679 2.7222 2.1118 3.9801 1.0128 4.4275 1.0131
H5 1.0854 2.1104 2.1118 2.7222 3.0768 2.9520 2.4073 2.4147 3.4744
H6 2.1104 1.0854 2.7222 2.1118 3.0768 2.4073 2.9520 3.4744 2.4147
H7 2.0211 2.5670 1.0128 3.9801 2.9520 2.4073 4.4187 1.6379 4.5229
H8 2.5670 2.0211 3.9801 1.0128 2.4073 2.9520 4.4187 4.5229 1.6379
H9 2.0235 3.1577 1.0131 4.4275 2.4147 3.4744 1.6379 4.5229 4.9946
H10 3.1577 2.0235 4.4275 1.0131 3.4744 2.4147 4.5229 1.6379 4.9946
Maximum atom distance is 4.9946Å between atoms H9 and H10.
picture of diaminoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 125.093 C2 C1 N3 125.093
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.545 C1 N3 H7 111.068
C1 N3 H9 111.256 C2 C1 H5 120.545
C2 N4 H8 111.068 C2 N4 H10 111.256
N3 C1 H5 114.045 N4 C2 H6 114.045
H7 N3 H9 107.895 H8 N4 H10 107.895

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