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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/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3122 0.5924 0.0404   0.5475 0.3855 0.0404
C2 -0.3122 -0.5924 0.0404   -0.5475 -0.3855 0.0404
N3 -0.3122 1.8538 -0.1126   1.8785 -0.0720 -0.1126
N4 0.3122 -1.8538 -0.1126   -1.8785 0.0720 -0.1126
H5 1.3989 0.6380 0.0397   0.4535 1.4691 0.0397
H6 -1.3989 -0.6380 0.0397   -0.4535 -1.4691 0.0397
H7 -1.3209 1.7838 -0.0778   1.9384 -1.0814 -0.0778
H8 1.3209 -1.7838 -0.0778   -1.9384 1.0814 -0.0778
H9 -0.0041 2.5197 0.5841   2.4995 0.3189 0.5841
H10 0.0041 -2.5197 0.5841   -2.4995 -0.3189 0.5841
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3392 1.4158 2.4509 1.0877 2.1075 2.0249 2.5841 2.0274 3.1742
C2 1.3392 2.4509 1.4158 2.1075 1.0877 2.5841 2.0249 3.1742 2.0274
N3 1.4158 2.4509 3.7598 2.1045 2.7227 1.0117 3.9875 1.0118 4.4399
N4 2.4509 1.4158 3.7598 2.7227 2.1045 3.9875 1.0117 4.4399 1.0118
H5 1.0877 2.1075 2.1045 2.7227 3.0750 2.9536 2.4259 2.4094 3.4947
H6 2.1075 1.0877 2.7227 2.1045 3.0750 2.4259 2.9536 3.4947 2.4094
H7 2.0249 2.5841 1.0117 3.9875 2.9536 2.4259 4.4392 1.6473 4.5512
H8 2.5841 2.0249 3.9875 1.0117 2.4259 2.9536 4.4392 4.5512 1.6473
H9 2.0274 3.1742 1.0118 4.4399 2.4094 3.4947 1.6473 4.5512 5.0394
H10 3.1742 2.0274 4.4399 1.0118 3.4947 2.4094 4.5512 1.6473 5.0394
Maximum atom distance is 5.0394Å 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 125.639 C2 C1 N3 125.639
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.193 C1 N3 H7 111.981
C1 N3 H9 112.194 C2 C1 H5 120.193
C2 N4 H8 111.981 C2 N4 H10 112.194
N3 C1 H5 113.774 N4 C2 H6 113.774
H7 N3 H9 108.994 H8 N4 H10 108.994

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