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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=

MP2/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3211 0.5983 0.0505   0.5512 0.3965 0.0505
C2 -0.3211 -0.5983 0.0505   -0.5512 -0.3965 0.0505
N3 -0.3211 1.8648 -0.0933   1.8908 -0.0748 -0.0933
N4 0.3211 -1.8648 -0.0933   -1.8908 0.0748 -0.0933
H5 1.4125 0.6452 0.0590   0.4552 1.4847 0.0590
H6 -1.4125 -0.6452 0.0590   -0.4552 -1.4847 0.0590
H7 -1.3247 1.8424 -0.2387   1.9997 -1.0727 -0.2387
H8 1.3247 -1.8424 -0.2387   -1.9997 1.0727 -0.2387
H9 -0.0181 2.6043 0.5294   2.5844 0.3222 0.5294
H10 0.0181 -2.6043 0.5294   -2.5844 -0.3222 0.5294
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3580 1.4273 2.4673 1.0924 2.1335 2.0833 2.6548 2.0901 3.2523
C2 1.3580 2.4673 1.4273 2.1335 1.0924 2.6548 2.0833 3.2523 2.0901
N3 1.4273 2.4673 3.7845 2.1251 2.7412 1.0143 4.0588 1.0131 4.5251
N4 2.4673 1.4273 3.7845 2.7412 2.1251 4.0588 1.0143 4.5251 1.0131
H5 1.0924 2.1335 2.1251 2.7412 3.1057 3.0024 2.5069 2.4711 3.5672
H6 2.1335 1.0924 2.7412 2.1251 3.1057 2.5069 3.0024 3.5672 2.4711
H7 2.0833 2.6548 1.0143 4.0588 3.0024 2.5069 4.5384 1.6963 4.7081
H8 2.6548 2.0833 4.0588 1.0143 2.5069 3.0024 4.5384 4.7081 1.6963
H9 2.0901 3.2523 1.0131 4.5251 2.4711 3.5672 1.6963 4.7081 5.2088
H10 3.2523 2.0901 4.5251 1.0131 3.5672 2.4711 4.7081 1.6963 5.2088
Maximum atom distance is 5.2088Å 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 124.685 C2 C1 N3 124.685
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.682 C1 N3 H7 116.106
C1 N3 H9 116.822 C2 C1 H5 120.682
C2 N4 H8 116.106 C2 N4 H10 116.822
N3 C1 H5 114.345 N4 C2 H6 114.345
H7 N3 H9 113.590 H8 N4 H10 113.590

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