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Geometry for C4H4N2 (Succinonitrile) 1Ag C2H

1910171554
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2 INChIKey=IAHFWCOBPZCAEA-UHFFFAOYSA-N

HF/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4259 0.6399 0.0000   0.4770 0.6028 0.0000
C2 -0.4259 -0.6399 0.0000   -0.4770 -0.6028 0.0000
C3 -0.4259 1.8361 0.0000   1.8778 0.1624 0.0000
C4 0.4259 -1.8361 0.0000   -1.8778 -0.1624 0.0000
N5 1.0930 -2.7465 0.0000   -2.9499 0.1906 0.0000
N6 -1.0930 2.7465 0.0000   2.9499 -0.1906 0.0000
H7 1.0633 0.6720 0.8748   0.3105 1.2189 0.8748
H8 1.0633 0.6720 -0.8748   0.3105 1.2189 -0.8748
H9 -1.0633 -0.6720 0.8748   -0.3105 -1.2189 0.8748
H10 -1.0633 -0.6720 -0.8748   -0.3105 -1.2189 -0.8748
Atom - Atom Distances (Å)
  C1 C2 C3 C4 N5 N6 H7 H8 H9 H10
C1 1.5374 1.4684 2.4760 3.4515 2.5971 1.0828 1.0828 2.1689 2.1689
C2 1.5374 2.4760 1.4684 2.5971 3.4515 2.1689 2.1689 1.0828 1.0828
C3 1.4684 2.4760 3.7697 4.8278 1.1287 2.0828 2.0828 2.7317 2.7317
C4 2.4760 1.4684 3.7697 1.1287 4.8278 2.7317 2.7317 2.0828 2.0828
N5 3.4515 2.5971 4.8278 1.1287 5.9120 3.5288 3.5288 3.1175 3.1175
N6 2.5971 3.4515 1.1287 4.8278 5.9120 3.1175 3.1175 3.5288 3.5288
H7 1.0828 2.1689 2.0828 2.7317 3.5288 3.1175 1.7496 2.5157 3.0643
H8 1.0828 2.1689 2.0828 2.7317 3.5288 3.1175 1.7496 3.0643 2.5157
H9 2.1689 1.0828 2.7317 2.0828 3.1175 3.5288 2.5157 3.0643 1.7496
H10 2.1689 1.0828 2.7317 2.0828 3.1175 3.5288 3.0643 2.5157 1.7496
Maximum atom distance is 5.9120Å between atoms N5 and N6.
picture of Succinonitrile
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 110.901 C1 C3 N6 179.222
C2 C1 C3 110.901 C2 C4 N5 179.222
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 110.536 C1 C2 H10 110.536
C2 C1 H7 110.536 C2 C1 H8 110.536
C3 C1 H7 108.501 C3 C1 H8 108.501
C4 C2 H9 108.501 C4 C2 H10 108.501
H7 C1 H8 107.772 H9 C2 H10 107.772

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