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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=

HF/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3109 0.5834 0.0203   0.6187 0.2329 0.0203
C2 -0.3109 -0.5834 0.0203   -0.6187 -0.2329 0.0203
N3 -0.3109 1.8447 -0.0931   1.7890 -0.5468 -0.0931
N4 0.3109 -1.8447 -0.0931   -1.7890 0.5468 -0.0931
H5 1.3883 0.6266 0.0210   0.8008 1.2956 0.0210
H6 -1.3883 -0.6266 0.0210   -0.8008 -1.2956 0.0210
H7 -1.3082 1.7968 -0.0944   1.6126 -1.5295 -0.0944
H8 1.3082 -1.7968 -0.0944   -1.6126 1.5295 -0.0944
H9 -0.0057 2.4925 0.6031   2.4708 -0.3278 0.6031
H10 0.0057 -2.4925 0.6031   -2.4708 0.3278 0.6031
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3222 1.4108 2.4307 1.0782 2.0860 2.0266 2.5832 2.0210 3.1454
C2 1.3222 2.4307 1.4108 2.0860 1.0782 2.5832 2.0266 3.1454 2.0210
N3 1.4108 2.4307 3.7414 2.0938 2.6983 0.9984 3.9852 0.9988 4.4040
N4 2.4307 1.4108 3.7414 2.6983 2.0938 3.9852 0.9984 4.4040 0.9988
H5 1.0782 2.0860 2.0938 2.6983 3.0463 2.9417 2.4275 2.4007 3.4611
H6 2.0860 1.0782 2.6983 2.0938 3.0463 2.4275 2.9417 3.4611 2.4007
H7 2.0266 2.5832 0.9984 3.9852 2.9417 2.4275 4.4452 1.6331 4.5399
H8 2.5832 2.0266 3.9852 0.9984 2.4275 2.9417 4.4452 4.5399 1.6331
H9 2.0210 3.1454 0.9988 4.4040 2.4007 3.4611 1.6331 4.5399 4.9850
H10 3.1454 2.0210 4.4040 0.9988 3.4611 2.4007 4.5399 1.6331 4.9850
Maximum atom distance is 4.9850Å 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 125.562 C2 C1 N3 125.562
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.356 C1 N3 H7 113.426
C1 N3 H9 112.897 C2 C1 H5 120.356
C2 N4 H8 113.426 C2 N4 H10 112.897
N3 C1 H5 113.869 N4 C2 H6 113.869
H7 N3 H9 109.710 H8 N4 H10 109.710

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