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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=

MP2=FULL/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3211 0.5982 0.0505   0.5511 0.3964 0.0505
C2 -0.3211 -0.5982 0.0505   -0.5511 -0.3964 0.0505
N3 -0.3211 1.8645 -0.0931   1.8905 -0.0748 -0.0931
N4 0.3211 -1.8645 -0.0931   -1.8905 0.0748 -0.0931
H5 1.4124 0.6450 0.0591   0.4551 1.4845 0.0591
H6 -1.4124 -0.6450 0.0591   -0.4551 -1.4845 0.0591
H7 -1.3244 1.8426 -0.2393   1.9997 -1.0725 -0.2393
H8 1.3244 -1.8426 -0.2393   -1.9997 1.0725 -0.2393
H9 -0.0178 2.6044 0.5287   2.5844 0.3225 0.5287
H10 0.0178 -2.6044 0.5287   -2.5844 -0.3225 0.5287
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3578 1.4271 2.4669 1.0923 2.1332 2.0833 2.6548 2.0901 3.2523
C2 1.3578 2.4669 1.4271 2.1332 1.0923 2.6548 2.0833 3.2523 2.0901
N3 1.4271 2.4669 3.7839 2.1249 2.7408 1.0142 4.0585 1.0130 4.5247
N4 2.4669 1.4271 3.7839 2.7408 2.1249 4.0585 1.0142 4.5247 1.0130
H5 1.0923 2.1332 2.1249 2.7408 3.1054 3.0022 2.5070 2.4708 3.5671
H6 2.1332 1.0923 2.7408 2.1249 3.1054 2.5070 3.0022 3.5671 2.4708
H7 2.0833 2.6548 1.0142 4.0585 3.0022 2.5070 4.5383 1.6964 4.7082
H8 2.6548 2.0833 4.0585 1.0142 2.5070 3.0022 4.5383 4.7082 1.6964
H9 2.0901 3.2523 1.0130 4.5247 2.4708 3.5671 1.6964 4.7082 5.2089
H10 3.2523 2.0901 4.5247 1.0130 3.5671 2.4708 4.7082 1.6964 5.2089
Maximum atom distance is 5.2089Å 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 124.685 C2 C1 N3 124.685
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.681 C1 N3 H7 116.133
C1 N3 H9 116.850 C2 C1 H5 120.681
C2 N4 H8 116.133 C2 N4 H10 116.850
N3 C1 H5 114.347 N4 C2 H6 114.347
H7 N3 H9 113.610 H8 N4 H10 113.610

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