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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=

B3LYP/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3106 0.5922 0.0414   0.6269 0.2327 0.0414
C2 -0.3106 -0.5922 0.0414   -0.6269 -0.2327 0.0414
N3 -0.3106 1.8549 -0.1126   1.8003 -0.5441 -0.1126
N4 0.3106 -1.8549 -0.1126   -1.8003 0.5441 -0.1126
H5 1.3987 0.6394 0.0419   0.8122 1.3060 0.0419
H6 -1.3987 -0.6394 0.0419   -0.8122 -1.3060 0.0419
H7 -1.3218 1.7948 -0.0804   1.6120 -1.5395 -0.0804
H8 1.3218 -1.7948 -0.0804   -1.6120 1.5395 -0.0804
H9 0.0015 2.5285 0.5782   2.5081 -0.3203 0.5782
H10 -0.0015 -2.5285 0.5782   -2.5081 0.3203 0.5782
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3374 1.4157 2.4520 1.0892 2.1068 2.0312 2.5952 2.0330 3.1819
C2 1.3374 2.4520 1.4157 2.1068 1.0892 2.5952 2.0312 3.1819 2.0330
N3 1.4157 2.4520 3.7615 2.1031 2.7258 1.0135 3.9983 1.0140 4.4483
N4 2.4520 1.4157 3.7615 2.7258 2.1031 3.9983 1.0135 4.4483 1.0140
H5 1.0892 2.1068 2.1031 2.7258 3.0759 2.9582 2.4385 2.4101 3.5049
H6 2.1068 1.0892 2.7258 2.1031 3.0759 2.4385 2.9582 3.5049 2.4101
H7 2.0312 2.5952 1.0135 3.9983 2.9582 2.4385 4.4580 1.6502 4.5681
H8 2.5952 2.0312 3.9983 1.0135 2.4385 2.9582 4.4580 4.5681 1.6502
H9 2.0330 3.1819 1.0140 4.4483 2.4101 3.5049 1.6502 4.5681 5.0570
H10 3.1819 2.0330 4.4483 1.0140 3.5049 2.4101 4.5681 1.6502 5.0570
Maximum atom distance is 5.0570Å 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 125.882 C2 C1 N3 125.882
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.163 C1 N3 H7 112.421
C1 N3 H9 112.543 C2 C1 H5 120.163
C2 N4 H8 112.421 C2 N4 H10 112.543
N3 C1 H5 113.561 N4 C2 H6 113.561
H7 N3 H9 108.959 H8 N4 H10 108.959

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