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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=

HSEh1PBE/3-21G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3123 0.5930 0.0425   0.5486 0.3851 0.0425
C2 -0.3123 -0.5930 0.0425   -0.5486 -0.3851 0.0425
N3 -0.3123 1.8481 -0.0902   1.8728 -0.0751 -0.0902
N4 0.3123 -1.8481 -0.0902   -1.8728 0.0751 -0.0902
H5 1.4001 0.6300 0.0523   0.4470 1.4688 0.0523
H6 -1.4001 -0.6300 0.0523   -0.4470 -1.4688 0.0523
H7 -1.3231 1.8382 -0.1869   1.9913 -1.0789 -0.1869
H8 1.3231 -1.8382 -0.1869   -1.9913 1.0789 -0.1869
H9 0.0335 2.5904 0.5106   2.5652 0.3623 0.5106
H10 -0.0335 -2.5904 0.5106   -2.5652 -0.3623 0.5106
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3405 1.4082 2.4448 1.0885 2.1044 2.0682 2.6429 2.0703 3.2362
C2 1.3405 2.4448 1.4082 2.1044 1.0885 2.6429 2.0682 3.2362 2.0703
N3 1.4082 2.4448 3.7487 2.1064 2.7101 1.0154 4.0339 1.0156 4.4877
N4 2.4448 1.4082 3.7487 2.7101 2.1064 4.0339 1.0154 4.4877 1.0156
H5 1.0885 2.1044 2.1064 2.7101 3.0707 2.9888 2.4809 2.4333 3.5548
H6 2.1044 1.0885 2.7101 2.1064 3.0707 2.4809 2.9888 3.5548 2.4333
H7 2.0682 2.6429 1.0154 4.0339 2.9888 2.4809 4.5296 1.7008 4.6649
H8 2.6429 2.0682 4.0339 1.0154 2.4809 2.9888 4.5296 4.6649 1.7008
H9 2.0703 3.2362 1.0156 4.4877 2.4333 3.5548 1.7008 4.6649 5.1812
H10 3.2362 2.0703 4.4877 1.0156 3.5548 2.4333 4.6649 1.7008 5.1812
Maximum atom distance is 5.1812Å 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 125.584 C2 C1 N3 125.584
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.716 C1 N3 H7 116.217
C1 N3 H9 116.397 C2 C1 H5 119.716
C2 N4 H8 116.217 C2 N4 H10 116.397
N3 C1 H5 114.450 N4 C2 H6 114.450
H7 N3 H9 113.732 H8 N4 H10 113.732

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