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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/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3117 0.5903 0.0407   0.5456 0.3846 0.0407
C2 -0.3117 -0.5903 0.0407   -0.5456 -0.3846 0.0407
N3 -0.3117 1.8495 -0.1085   1.8742 -0.0729 -0.1085
N4 0.3117 -1.8495 -0.1085   -1.8742 0.0729 -0.1085
H5 1.3975 0.6355 0.0440   0.4518 1.4672 0.0440
H6 -1.3975 -0.6355 0.0440   -0.4518 -1.4672 0.0440
H7 -1.3221 1.8017 -0.0851   1.9558 -1.0811 -0.0851
H8 1.3221 -1.8017 -0.0851   -1.9558 1.0811 -0.0851
H9 0.0138 2.5397 0.5564   2.5171 0.3381 0.5564
H10 -0.0138 -2.5397 0.5564   -2.5171 -0.3381 0.5564
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3351 1.4130 2.4444 1.0867 2.1033 2.0378 2.5996 2.0383 3.1888
C2 1.3351 2.4444 1.4130 2.1033 1.0867 2.5996 2.0378 3.1888 2.0383
N3 1.4130 2.4444 3.7513 2.1020 2.7162 1.0118 4.0002 1.0120 4.4493
N4 2.4444 1.4130 3.7513 2.7162 2.1020 4.0002 1.0118 4.4493 1.0120
H5 1.0867 2.1033 2.1020 2.7162 3.0704 2.9619 2.4418 2.4089 3.5122
H6 2.1033 1.0867 2.7162 2.1020 3.0704 2.4418 2.9619 3.5122 2.4089
H7 2.0378 2.5996 1.0118 4.0002 2.9619 2.4418 4.4694 1.6554 4.5793
H8 2.5996 2.0378 4.0002 1.0118 2.4418 2.9619 4.4694 4.5793 1.6554
H9 2.0383 3.1888 1.0120 4.4493 2.4089 3.5122 1.6554 4.5793 5.0794
H10 3.1888 2.0383 4.4493 1.0120 3.5122 2.4089 4.5793 1.6554 5.0794
Maximum atom distance is 5.0794Å 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 125.592 C2 C1 N3 125.592
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.223 C1 N3 H7 113.327
C1 N3 H9 113.353 C2 C1 H5 120.223
C2 N4 H8 113.327 C2 N4 H10 113.353
N3 C1 H5 113.831 N4 C2 H6 113.831
H7 N3 H9 109.766 H8 N4 H10 109.766

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