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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=

QCISD(T)=FULL/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3176 0.5984 0.0292   0.5522 0.3925 0.0292
C2 -0.3176 -0.5984 0.0292   -0.5522 -0.3925 0.0292
N3 -0.3176 1.8705 -0.1174   1.8959 -0.0722 -0.1174
N4 0.3176 -1.8705 -0.1174   -1.8959 0.0722 -0.1174
H5 1.4174 0.6402 0.0277   0.4509 1.4884 0.0277
H6 -1.4174 -0.6402 0.0277   -0.4509 -1.4884 0.0277
H7 -1.3314 1.7613 -0.0214   1.9192 -1.0916 -0.0214
H8 1.3314 -1.7613 -0.0214   -1.9192 1.0916 -0.0214
H9 -0.0231 2.4941 0.6403   2.4760 0.3007 0.6403
H10 0.0231 -2.4941 0.6403   -2.4760 -0.3007 0.6403
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3549 1.4294 2.4733 1.1006 2.1317 2.0184 2.5688 2.0207 3.1661
C2 1.3549 2.4733 1.4294 2.1317 1.1006 2.5688 2.0184 3.1661 2.0207
N3 1.4294 2.4733 3.7945 2.1318 2.7449 1.0242 3.9898 1.0246 4.4430
N4 2.4733 1.4294 3.7945 2.7449 2.1318 3.9898 1.0242 4.4430 1.0246
H5 1.1006 2.1317 2.1318 2.7449 3.1105 2.9690 2.4036 2.4264 3.4847
H6 2.1317 1.1006 2.7449 2.1318 3.1105 2.4036 2.9690 3.4847 2.4264
H7 2.0184 2.5688 1.0242 3.9898 2.9690 2.4036 4.4158 1.6390 4.5146
H8 2.5688 2.0184 3.9898 1.0242 2.4036 2.9690 4.4158 4.5146 1.6390
H9 2.0207 3.1661 1.0246 4.4430 2.4264 3.4847 1.6390 4.5146 4.9884
H10 3.1661 2.0207 4.4430 1.0246 3.4847 2.4264 4.5146 1.6390 4.9884
Maximum atom distance is 4.9884Å 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 125.298 C2 C1 N3 125.298
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.130 C1 N3 H7 109.596
C1 N3 H9 109.761 C2 C1 H5 120.130
C2 N4 H8 109.596 C2 N4 H10 109.761
N3 C1 H5 114.211 N4 C2 H6 114.211
H7 N3 H9 106.262 H8 N4 H10 106.262

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