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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=

MP3=FULL/6-311+G(3df,2p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3139 0.5863 0.0282   0.6224 0.2344 0.0282
C2 -0.3139 -0.5863 0.0282   -0.6224 -0.2344 0.0282
N3 -0.3139 1.8438 -0.1035   1.7869 -0.5525 -0.1035
N4 0.3139 -1.8438 -0.1035   -1.7869 0.5525 -0.1035
H5 1.3954 0.6264 0.0277   0.8036 1.3014 0.0277
H6 -1.3954 -0.6264 0.0277   -0.8036 -1.3014 0.0277
H7 -1.3178 1.7805 -0.0546   1.5927 -1.5395 -0.0546
H8 1.3178 -1.7805 -0.0546   -1.5927 1.5395 -0.0546
H9 0.0076 2.5072 0.5823   2.4866 -0.3206 0.5823
H10 -0.0076 -2.5072 0.5823   -2.4866 0.3206 0.5823
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3301 1.4116 2.4337 1.0823 2.0958 2.0237 2.5723 2.0225 3.1592
C2 1.3301 2.4337 1.4116 2.0958 1.0823 2.5723 2.0237 3.1592 2.0225
N3 1.4116 2.4337 3.7407 2.1026 2.6998 1.0071 3.9750 1.0068 4.4154
N4 2.4337 1.4116 3.7407 2.6998 2.1026 3.9750 1.0071 4.4154 1.0068
H5 1.0823 2.0958 2.1026 2.6998 3.0591 2.9496 2.4096 2.4023 3.4778
H6 2.0958 1.0823 2.6998 2.1026 3.0591 2.4096 2.9496 3.4778 2.4023
H7 2.0237 2.5723 1.0071 3.9750 2.9496 2.4096 4.4303 1.6402 4.5285
H8 2.5723 2.0237 3.9750 1.0071 2.4096 2.9496 4.4303 4.5285 1.6402
H9 2.0225 3.1592 1.0068 4.4154 2.4023 3.4778 1.6402 4.5285 5.0145
H10 3.1592 2.0225 4.4154 1.0068 3.4778 2.4023 4.5285 1.6402 5.0145
Maximum atom distance is 5.0145Å 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 125.137 C2 C1 N3 125.137
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.279 C1 N3 H7 112.503
C1 N3 H9 112.425 C2 C1 H5 120.279
C2 N4 H8 112.503 C2 N4 H10 112.425
N3 C1 H5 114.292 N4 C2 H6 114.292
H7 N3 H9 109.062 H8 N4 H10 109.062

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