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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=

MP2/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3182 0.5946 0.0389   0.5481 0.3929 0.0389
C2 -0.3182 -0.5946 0.0389   -0.5481 -0.3929 0.0389
N3 -0.3182 1.8733 -0.1005   1.8987 -0.0717 -0.1005
N4 0.3182 -1.8733 -0.1005   -1.8987 0.0717 -0.1005
H5 1.4062 0.6366 0.0448   0.4482 1.4771 0.0448
H6 -1.4062 -0.6366 0.0448   -0.4482 -1.4771 0.0448
H7 -1.3358 1.8203 -0.1557   1.9787 -1.0875 -0.1557
H8 1.3358 -1.8203 -0.1557   -1.9787 1.0875 -0.1557
H9 -0.0134 2.5673 0.5811   2.5472 0.3208 0.5811
H10 0.0134 -2.5673 0.5811   -2.5472 -0.3208 0.5811
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3488 1.4351 2.4718 1.0888 2.1189 2.0679 2.6277 2.0726 3.2225
C2 1.3488 2.4718 1.4351 2.1189 1.0888 2.6277 2.0679 3.2225 2.0726
N3 1.4351 2.4718 3.8002 2.1270 2.7394 1.0204 4.0474 1.0194 4.5048
N4 2.4718 1.4351 3.8002 2.7394 2.1270 4.0474 1.0204 4.5048 1.0194
H5 1.0888 2.1189 2.1270 2.7394 3.0872 2.9933 2.4661 2.4557 3.5345
H6 2.1189 1.0888 2.7394 2.1270 3.0872 2.4661 2.9933 3.5345 2.4557
H7 2.0679 2.6277 1.0204 4.0474 2.9933 2.4661 4.5157 1.6880 4.6491
H8 2.6277 2.0679 4.0474 1.0204 2.4661 2.9933 4.5157 4.6491 1.6880
H9 2.0726 3.2225 1.0194 4.5048 2.4557 3.5345 1.6880 4.6491 5.1347
H10 3.2225 2.0726 4.5048 1.0194 3.5345 2.4557 4.6491 1.6880 5.1347
Maximum atom distance is 5.1347Å 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 125.189 C2 C1 N3 125.189
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.370 C1 N3 H7 113.658
C1 N3 H9 114.144 C2 C1 H5 120.370
C2 N4 H8 113.658 C2 N4 H10 114.144
N3 C1 H5 114.158 N4 C2 H6 114.158
H7 N3 H9 111.689 H8 N4 H10 111.689

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