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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=

B2PLYP=FULL/6-31G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3138 0.5920 0.0351   0.6274 0.2351 0.0351
C2 -0.3138 -0.5920 0.0351   -0.6274 -0.2351 0.0351
N3 -0.3138 1.8520 -0.1113   1.7964 -0.5492 -0.1113
N4 0.3138 -1.8520 -0.1113   -1.7964 0.5492 -0.1113
H5 1.3993 0.6362 0.0368   0.8107 1.3060 0.0368
H6 -1.3993 -0.6362 0.0368   -0.8107 -1.3060 0.0368
H7 -1.3228 1.7760 -0.0607   1.5913 -1.5401 -0.0607
H8 1.3228 -1.7760 -0.0607   -1.5913 1.5401 -0.0607
H9 -0.0060 2.5129 0.5927   2.4913 -0.3289 0.5927
H10 0.0060 -2.5129 0.5927   -2.4913 0.3289 0.5927
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3400 1.4152 2.4484 1.0864 2.1079 2.0222 2.5758 2.0256 3.1695
C2 1.3400 2.4484 1.4152 2.1079 1.0864 2.5758 2.0222 3.1695 2.0256
N3 1.4152 2.4484 3.7568 2.1059 2.7187 1.0132 3.9804 1.0135 4.4329
N4 2.4484 1.4152 3.7568 2.7187 2.1059 3.9804 1.0132 4.4329 1.0135
H5 1.0864 2.1079 2.1059 2.7187 3.0743 2.9527 2.4153 2.4096 3.4881
H6 2.1079 1.0864 2.7187 2.1059 3.0743 2.4153 2.9527 3.4881 2.4096
H7 2.0222 2.5758 1.0132 3.9804 2.9527 2.4153 4.4290 1.6444 4.5373
H8 2.5758 2.0222 3.9804 1.0132 2.4153 2.9527 4.4290 4.5373 1.6444
H9 2.0256 3.1695 1.0135 4.4329 2.4096 3.4881 1.6444 4.5373 5.0258
H10 3.1695 2.0256 4.4329 1.0135 3.4881 2.4096 4.5373 1.6444 5.0258
Maximum atom distance is 5.0258Å 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 125.380 C2 C1 N3 125.380
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.255 C1 N3 H7 111.692
C1 N3 H9 111.964 C2 C1 H5 120.255
C2 N4 H8 111.692 C2 N4 H10 111.964
N3 C1 H5 114.018 N4 C2 H6 114.018
H7 N3 H9 108.458 H8 N4 H10 108.458

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