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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=

B3LYP/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3125 0.5929 0.0362   0.5480 0.3858 0.0362
C2 -0.3125 -0.5929 0.0362   -0.5480 -0.3858 0.0362
N3 -0.3125 1.8546 -0.1115   1.8793 -0.0725 -0.1115
N4 0.3125 -1.8546 -0.1115   -1.8793 0.0725 -0.1115
H5 1.4012 0.6388 0.0392   0.4542 1.4714 0.0392
H6 -1.4012 -0.6388 0.0392   -0.4542 -1.4714 0.0392
H7 -1.3243 1.7866 -0.0613   1.9415 -1.0847 -0.0613
H8 1.3243 -1.7866 -0.0613   -1.9415 1.0847 -0.0613
H9 0.0019 2.5240 0.5855   2.5029 0.3250 0.5855
H10 -0.0019 -2.5240 0.5855   -2.5029 -0.3250 0.5855
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3403 1.4157 2.4519 1.0897 2.1104 2.0282 2.5875 2.0316 3.1804
C2 1.3403 2.4519 1.4157 2.1104 1.0897 2.5875 2.0282 3.1804 2.0316
N3 1.4157 2.4519 3.7615 2.1065 2.7249 1.0154 3.9925 1.0162 4.4445
N4 2.4519 1.4157 3.7615 2.7249 2.1065 3.9925 1.0154 4.4445 1.0162
H5 1.0897 2.1104 2.1065 2.7249 3.0799 2.9591 2.4288 2.4104 3.5029
H6 2.1104 1.0897 2.7249 2.1065 3.0799 2.4288 2.9591 3.5029 2.4104
H7 2.0282 2.5875 1.0154 3.9925 2.9591 2.4288 4.4479 1.6495 4.5550
H8 2.5875 2.0282 3.9925 1.0154 2.4288 2.9591 4.4479 4.5550 1.6495
H9 2.0316 3.1804 1.0162 4.4445 2.4104 3.5029 1.6495 4.5550 5.0479
H10 3.1804 2.0316 4.4445 1.0162 3.5029 2.4104 4.5550 1.6495 5.0479
Maximum atom distance is 5.0479Å 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 125.634 C2 C1 N3 125.634
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.209 C1 N3 H7 112.030
C1 N3 H9 112.270 C2 C1 H5 120.209
C2 N4 H8 112.030 C2 N4 H10 112.270
N3 C1 H5 113.812 N4 C2 H6 113.812
H7 N3 H9 108.575 H8 N4 H10 108.575

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