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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/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3176 0.5955 0.0493   0.5499 0.3913 0.0493
C2 -0.3176 -0.5955 0.0493   -0.5499 -0.3913 0.0493
N3 -0.3176 1.8523 -0.0850   1.8777 -0.0777 -0.0850
N4 0.3176 -1.8523 -0.0850   -1.8777 0.0777 -0.0850
H5 1.4048 0.6414 0.0602   0.4561 1.4754 0.0602
H6 -1.4048 -0.6414 0.0602   -0.4561 -1.4754 0.0602
H7 -1.3150 1.8574 -0.2377   2.0105 -1.0663 -0.2377
H8 1.3150 -1.8574 -0.2377   -2.0105 1.0663 -0.2377
H9 0.0260 2.6162 0.4767   2.5913 0.3610 0.4767
H10 -0.0260 -2.6162 0.4767   -2.5913 -0.3610 0.4767
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3497 1.4146 2.4514 1.0882 2.1205 2.0833 2.6634 2.0859 3.2581
C2 1.3497 2.4514 1.4146 2.1205 1.0882 2.6634 2.0833 3.2581 2.0859
N3 1.4146 2.4514 3.7586 2.1104 2.7242 1.0091 4.0559 1.0085 4.5131
N4 2.4514 1.4146 3.7586 2.7242 2.1104 4.0559 1.0091 4.5131 1.0085
H5 1.0882 2.1205 2.1104 2.7242 3.0885 2.9941 2.5180 2.4443 3.5822
H6 2.1205 1.0882 2.7242 2.1104 3.0885 2.5180 2.9941 3.5822 2.4443
H7 2.0833 2.6634 1.0091 4.0559 2.9941 2.5180 4.5515 1.6984 4.7100
H8 2.6634 2.0833 4.0559 1.0091 2.5180 2.9941 4.5515 4.7100 1.6984
H9 2.0859 3.2581 1.0085 4.5131 2.4443 3.5822 1.6984 4.7100 5.2326
H10 3.2581 2.0859 4.5131 1.0085 3.5822 2.4443 4.7100 1.6984 5.2326
Maximum atom distance is 5.2326Å 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 124.934 C2 C1 N3 124.934
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.488 C1 N3 H7 117.560
C1 N3 H9 117.845 C2 C1 H5 120.488
C2 N4 H8 117.560 C2 N4 H10 117.845
N3 C1 H5 114.335 N4 C2 H6 114.335
H7 N3 H9 114.659 H8 N4 H10 114.659

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