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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=

mPW1PW91/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3104 0.5889 0.0342   0.6236 0.2330 0.0342
C2 -0.3104 -0.5889 0.0342   -0.6236 -0.2330 0.0342
N3 -0.3104 1.8424 -0.1080   1.7880 -0.5423 -0.1080
N4 0.3104 -1.8424 -0.1080   -1.7880 0.5423 -0.1080
H5 1.3953 0.6300 0.0365   0.8024 1.3038 0.0365
H6 -1.3953 -0.6300 0.0365   -0.8024 -1.3038 0.0365
H7 -1.3161 1.7840 -0.0496   1.6020 -1.5323 -0.0496
H8 1.3161 -1.7840 -0.0496   -1.6020 1.5323 -0.0496
H9 0.0208 2.5188 0.5639   2.5010 -0.2998 0.5639
H10 -0.0208 -2.5188 0.5639   -2.5010 0.2998 0.5639
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3315 1.4060 2.4355 1.0856 2.0965 2.0200 2.5786 2.0221 3.1699
C2 1.3315 2.4355 1.4060 2.0965 1.0856 2.5786 2.0200 3.1699 2.0221
N3 1.4060 2.4355 3.7368 2.0977 2.7039 1.0090 3.9749 1.0093 4.4222
N4 2.4355 1.4060 3.7368 2.7039 2.0977 3.9749 1.0090 4.4222 1.0093
H5 1.0856 2.0965 2.0977 2.7039 3.0619 2.9479 2.4168 2.3948 3.4927
H6 2.0965 1.0856 2.7039 2.0977 3.0619 2.4168 2.9479 3.4927 2.3948
H7 2.0200 2.5786 1.0090 3.9749 2.9479 2.4168 4.4338 1.6443 4.5352
H8 2.5786 2.0200 3.9749 1.0090 2.4168 2.9479 4.4338 4.5352 1.6443
H9 2.0221 3.1699 1.0093 4.4222 2.3948 3.4927 1.6443 4.5352 5.0378
H10 3.1699 2.0221 4.4222 1.0093 3.4927 2.3948 4.5352 1.6443 5.0378
Maximum atom distance is 5.0378Å 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 125.646 C2 C1 N3 125.646
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.963 C1 N3 H7 112.491
C1 N3 H9 112.656 C2 C1 H5 119.963
C2 N4 H8 112.491 C2 N4 H10 112.656
N3 C1 H5 114.060 N4 C2 H6 114.060
H7 N3 H9 109.109 H8 N4 H10 109.109

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