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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=

CCSD=FULL/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3123 0.5860 0.0248   0.6216 0.2338 0.0248
C2 -0.3123 -0.5860 0.0248   -0.6216 -0.2338 0.0248
N3 -0.3123 1.8457 -0.1047   1.7896 -0.5489 -0.1047
N4 0.3123 -1.8457 -0.1047   -1.7896 0.5489 -0.1047
H5 1.3896 0.6232 0.0274   0.7980 1.2971 0.0274
H6 -1.3896 -0.6232 0.0274   -0.7980 -1.2971 0.0274
H7 -1.3150 1.7693 -0.0479   1.5839 -1.5332 -0.0479
H8 1.3150 -1.7693 -0.0479   -1.5839 1.5332 -0.0479
H9 -0.0011 2.4896 0.6049   2.4685 -0.3237 0.6049
H10 0.0011 -2.4896 0.6049   -2.4685 0.3237 0.6049
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3281 1.4120 2.4352 1.0779 2.0877 2.0134 2.5609 2.0145 3.1453
C2 1.3281 2.4352 1.4120 2.0877 1.0779 2.5609 2.0134 3.1453 2.0145
N3 1.4120 2.4352 3.7438 2.0997 2.6969 1.0072 3.9648 1.0076 4.4042
N4 2.4352 1.4120 3.7438 2.6969 2.0997 3.9648 1.0072 4.4042 1.0076
H5 1.0779 2.0877 2.0997 2.6969 3.0458 2.9384 2.3948 2.3982 3.4570
H6 2.0877 1.0779 2.6969 2.0997 3.0458 2.3948 2.9384 3.4570 2.3982
H7 2.0134 2.5609 1.0072 3.9648 2.9384 2.3948 4.4089 1.6345 4.5051
H8 2.5609 2.0134 3.9648 1.0072 2.3948 2.9384 4.4089 4.5051 1.6345
H9 2.0145 3.1453 1.0076 4.4042 2.3982 3.4570 1.6345 4.5051 4.9792
H10 3.1453 2.0145 4.4042 1.0076 3.4570 2.3982 4.5051 1.6345 4.9792
Maximum atom distance is 4.9792Å 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 125.396 C2 C1 N3 125.396
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.028 C1 N3 H7 111.565
C1 N3 H9 111.646 C2 C1 H5 120.028
C2 N4 H8 111.565 C2 N4 H10 111.646
N3 C1 H5 114.308 N4 C2 H6 114.308
H7 N3 H9 108.438 H8 N4 H10 108.438

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