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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=

MP3=FULL/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3127 0.5852 0.0274   0.6211 0.2336 0.0274
C2 -0.3127 -0.5852 0.0274   -0.6211 -0.2336 0.0274
N3 -0.3127 1.8430 -0.1034   1.7864 -0.5508 -0.1034
N4 0.3127 -1.8430 -0.1034   -1.7864 0.5508 -0.1034
H5 1.3906 0.6234 0.0275   0.7997 1.2973 0.0275
H6 -1.3906 -0.6234 0.0275   -0.7997 -1.2973 0.0275
H7 -1.3157 1.7723 -0.0668   1.5852 -1.5359 -0.0668
H8 1.3157 -1.7723 -0.0668   -1.5852 1.5359 -0.0668
H9 -0.0045 2.4937 0.5987   2.4717 -0.3302 0.5987
H10 0.0045 -2.4937 0.5987   -2.4717 0.3302 0.5987
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3271 1.4108 2.4318 1.0786 2.0886 2.0174 2.5637 2.0172 3.1466
C2 1.3271 2.4318 1.4108 2.0886 1.0786 2.5637 2.0174 3.1466 2.0172
N3 1.4108 2.4318 3.7387 2.0990 2.6949 1.0061 3.9653 1.0056 4.4046
N4 2.4318 1.4108 3.7387 2.6949 2.0990 3.9653 1.0061 4.4046 1.0056
H5 1.0786 2.0886 2.0990 2.6949 3.0480 2.9416 2.3987 2.4022 3.4589
H6 2.0886 1.0786 2.6949 2.0990 3.0480 2.3987 2.9416 3.4589 2.4022
H7 2.0174 2.5637 1.0061 3.9653 2.9416 2.3987 4.4145 1.6378 4.5149
H8 2.5637 2.0174 3.9653 1.0061 2.3987 2.9416 4.4145 4.5149 1.6378
H9 2.0172 3.1466 1.0056 4.4046 2.4022 3.4589 1.6378 4.5149 4.9874
H10 3.1466 2.0172 4.4046 1.0056 3.4589 2.4022 4.5149 1.6378 4.9874
Maximum atom distance is 4.9874Å 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 125.266 C2 C1 N3 125.266
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.147 C1 N3 H7 112.080
C1 N3 H9 112.102 C2 C1 H5 120.147
C2 N4 H8 112.080 C2 N4 H10 112.102
N3 C1 H5 114.301 N4 C2 H6 114.301
H7 N3 H9 109.002 H8 N4 H10 109.002

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