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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=FULL/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3127 0.5899 0.0312   0.5446 0.3863 0.0312
C2 -0.3127 -0.5899 0.0312   -0.5446 -0.3863 0.0312
N3 -0.3127 1.8461 -0.1104   1.8710 -0.0718 -0.1104
N4 0.3127 -1.8461 -0.1104   -1.8710 0.0718 -0.1104
H5 1.3964 0.6308 0.0324   0.4453 1.4662 0.0324
H6 -1.3964 -0.6308 0.0324   -0.4453 -1.4662 0.0324
H7 -1.3187 1.7655 -0.0463   1.9209 -1.0798 -0.0463
H8 1.3187 -1.7655 -0.0463   -1.9209 1.0798 -0.0463
H9 -0.0056 2.4970 0.5995   2.4769 0.3167 0.5995
H10 0.0056 -2.4970 0.5995   -2.4769 -0.3167 0.5995
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3353 1.4105 2.4401 1.0845 2.1003 2.0123 2.5623 2.0153 3.1537
C2 1.3353 2.4401 1.4105 2.1003 1.0845 2.5623 2.0123 3.1537 2.0153
N3 1.4105 2.4401 3.7448 2.1020 2.7074 1.0112 3.9634 1.0109 4.4123
N4 2.4401 1.4105 3.7448 2.7074 2.1020 3.9634 1.0112 4.4123 1.0109
H5 1.0845 2.1003 2.1020 2.7074 3.0646 2.9437 2.3988 2.4021 3.4697
H6 2.1003 1.0845 2.7074 2.1020 3.0646 2.3988 2.9437 3.4697 2.4021
H7 2.0123 2.5623 1.0112 3.9634 2.9437 2.3988 4.4071 1.6359 4.5099
H8 2.5623 2.0123 3.9634 1.0112 2.3988 2.9437 4.4071 4.5099 1.6359
H9 2.0153 3.1537 1.0109 4.4123 2.4021 3.4697 1.6359 4.5099 4.9940
H10 3.1537 2.0153 4.4123 1.0109 3.4697 2.4021 4.5099 1.6359 4.9940
Maximum atom distance is 4.9940Å 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 125.393 C2 C1 N3 125.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.096 C1 N3 H7 111.330
C1 N3 H9 111.609 C2 C1 H5 120.096
C2 N4 H8 111.330 C2 N4 H10 111.609
N3 C1 H5 114.180 N4 C2 H6 114.180
H7 N3 H9 108.002 H8 N4 H10 108.002

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