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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

B3LYP/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.7738 0.0000   0.4838 -0.6039 0.0000
C2 0.0000 -0.7738 0.0000   -0.4838 0.6039 0.0000
C3 -1.3640 1.3109 0.0000   1.8842 -0.1701 0.0000
C4 1.3640 -1.3109 0.0000   -1.8842 0.1701 0.0000
N5 2.4509 -1.7198 0.0000   -2.9880 -0.1904 0.0000
N6 -2.4509 1.7198 0.0000   2.9880 0.1904 0.0000
H7 0.5319 1.1543 0.8865   0.3067 -1.2334 0.8865
H8 0.5319 1.1543 -0.8865   0.3067 -1.2334 -0.8865
H9 -0.5319 -1.1543 0.8865   -0.3067 1.2334 0.8865
H10 -0.5319 -1.1543 -0.8865   -0.3067 1.2334 -0.8865
Atom - Atom Distances (Å)
  C1 C2 C3 C4 N5 N6 H7 H8 H9 H10
C1 1.5476 1.4660 2.4913 3.4964 2.6271 1.1016 1.1016 2.1878 2.1878
C2 1.5476 2.4913 1.4660 2.6271 3.4964 2.1878 2.1878 1.1016 1.1016
C3 1.4660 2.4913 3.7837 4.8723 1.1612 2.0988 2.0988 2.7488 2.7488
C4 2.4913 1.4660 3.7837 1.1612 4.8723 2.7488 2.7488 2.0988 2.0988
N5 3.4964 2.6271 4.8723 1.1612 5.9882 3.5678 3.5678 3.1627 3.1627
N6 2.6271 3.4964 1.1612 4.8723 5.9882 3.1627 3.1627 3.5678 3.5678
H7 1.1016 2.1878 2.0988 2.7488 3.5678 3.1627 1.7731 2.5419 3.0992
H8 1.1016 2.1878 2.0988 2.7488 3.5678 3.1627 1.7731 3.0992 2.5419
H9 2.1878 1.1016 2.7488 2.0988 3.1627 3.5678 2.5419 3.0992 1.7731
H10 2.1878 1.1016 2.7488 2.0988 3.1627 3.5678 3.0992 2.5419 1.7731
Maximum atom distance is 5.9882Å 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 111.493 C1 C3 N6 179.122
C2 C1 C3 111.493 C2 C4 N5 179.122
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 110.208 C1 C2 H10 110.208
C2 C1 H7 110.208 C2 C1 H8 110.208
C3 C1 H7 108.823 C3 C1 H8 108.823
C4 C2 H9 108.823 C4 C2 H10 108.823
H7 C1 H8 107.171 H9 C2 H10 107.171

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