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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=

B2PLYP=FULL/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3120 0.5903 0.0322   0.6255 0.2336 0.0322
C2 -0.3120 -0.5903 0.0322   -0.6255 -0.2336 0.0322
N3 -0.3120 1.8504 -0.1104   1.7950 -0.5472 -0.1104
N4 0.3120 -1.8504 -0.1104   -1.7950 0.5472 -0.1104
H5 1.3972 0.6346 0.0350   0.8088 1.3041 0.0350
H6 -1.3972 -0.6346 0.0350   -0.8088 -1.3041 0.0350
H7 -1.3193 1.7787 -0.0422   1.5944 -1.5369 -0.0422
H8 1.3193 -1.7787 -0.0422   -1.5944 1.5369 -0.0422
H9 0.0072 2.5111 0.5868   2.4912 -0.3155 0.5868
H10 -0.0072 -2.5111 0.5868   -2.4912 0.3155 0.5868
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3353 1.4135 2.4448 1.0861 2.1028 2.0197 2.5753 2.0224 3.1666
C2 1.3353 2.4448 1.4135 2.1028 1.0861 2.5753 2.0197 3.1666 2.0224
N3 1.4135 2.4448 3.7531 2.1026 2.7155 1.0121 3.9795 1.0121 4.4274
N4 2.4448 1.4135 3.7531 2.7155 2.1026 3.9795 1.0121 4.4274 1.0121
H5 1.0861 2.1028 2.1026 2.7155 3.0691 2.9486 2.4157 2.3995 3.4888
H6 2.1028 1.0861 2.7155 2.1026 3.0691 2.4157 2.9486 3.4888 2.3995
H7 2.0197 2.5753 1.0121 3.9795 2.9486 2.4157 4.4291 1.6406 4.5298
H8 2.5753 2.0197 3.9795 1.0121 2.4157 2.9486 4.4291 4.5298 1.6406
H9 2.0224 3.1666 1.0121 4.4274 2.3995 3.4888 1.6406 4.5298 5.0221
H10 3.1666 2.0224 4.4274 1.0121 3.4888 2.3995 4.5298 1.6406 5.0221
Maximum atom distance is 5.0221Å 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 125.582 C2 C1 N3 125.582
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.201 C1 N3 H7 111.679
C1 N3 H9 111.912 C2 C1 H5 120.201
C2 N4 H8 111.679 C2 N4 H10 111.912
N3 C1 H5 113.894 N4 C2 H6 113.894
H7 N3 H9 108.289 H8 N4 H10 108.289

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