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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/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3123 0.5925 0.0404   0.5475 0.3857 0.0404
C2 -0.3123 -0.5925 0.0404   -0.5475 -0.3857 0.0404
N3 -0.3123 1.8543 -0.1128   1.8790 -0.0720 -0.1128
N4 0.3123 -1.8543 -0.1128   -1.8790 0.0720 -0.1128
H5 1.3991 0.6382 0.0398   0.4536 1.4694 0.0398
H6 -1.3991 -0.6382 0.0398   -0.4536 -1.4694 0.0398
H7 -1.3211 1.7838 -0.0777   1.9385 -1.0815 -0.0777
H8 1.3211 -1.7838 -0.0777   -1.9385 1.0815 -0.0777
H9 -0.0045 2.5199 0.5846   2.4997 0.3185 0.5846
H10 0.0045 -2.5199 0.5846   -2.4997 -0.3185 0.5846
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3395 1.4163 2.4516 1.0878 2.1080 2.0252 2.5843 2.0276 3.1745
C2 1.3395 2.4516 1.4163 2.1080 1.0878 2.5843 2.0252 3.1745 2.0276
N3 1.4163 2.4516 3.7608 2.1050 2.7234 1.0119 3.9881 1.0119 4.4407
N4 2.4516 1.4163 3.7608 2.7234 2.1050 3.9881 1.0119 4.4407 1.0119
H5 1.0878 2.1080 2.1050 2.7234 3.0756 2.9539 2.4262 2.4099 3.4950
H6 2.1080 1.0878 2.7234 2.1050 3.0756 2.4262 2.9539 3.4950 2.4099
H7 2.0252 2.5843 1.0119 3.9881 2.9539 2.4262 4.4395 1.6473 4.5517
H8 2.5843 2.0252 3.9881 1.0119 2.4262 2.9539 4.4395 4.5517 1.6473
H9 2.0276 3.1745 1.0119 4.4407 2.4099 3.4950 1.6473 4.5517 5.0398
H10 3.1745 2.0276 4.4407 1.0119 3.4950 2.4099 4.5517 1.6473 5.0398
Maximum atom distance is 5.0398Å 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 125.627 C2 C1 N3 125.627
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.206 C1 N3 H7 111.956
C1 N3 H9 112.168 C2 C1 H5 120.206
C2 N4 H8 111.956 C2 N4 H10 112.168
N3 C1 H5 113.771 N4 C2 H6 113.771
H7 N3 H9 108.974 H8 N4 H10 108.974

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