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Geometry for C2H8N2 (Ethylenediamine) 1Ag C2H

1910171554
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 INChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4135 0.6728 0.0000   0.7334 0.2928 0.0000
C2 -0.4135 -0.6728 0.0000   -0.7334 -0.2928 0.0000
N3 -0.4135 1.9469 0.0000   1.8479 -0.7392 0.0000
N4 0.4135 -1.9469 0.0000   -1.8479 0.7392 0.0000
H5 1.0754 -1.8366 0.8245   -1.6264 1.3727 0.8245
H6 1.0754 -1.8366 -0.8245   -1.6264 1.3727 -0.8245
H7 -1.0754 1.8366 0.8245   1.6264 -1.3727 0.8245
H8 -1.0754 1.8366 -0.8245   1.6264 -1.3727 -0.8245
H9 -1.0654 -0.6981 0.8944   -0.8695 -0.9308 0.8944
H10 -1.0654 -0.6981 -0.8944   -0.8695 -0.9308 -0.8944
H11 1.0654 0.6981 0.8944   0.8695 0.9308 0.8944
H12 1.0654 0.6981 -0.8944   0.8695 0.9308 -0.8944
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.5794 1.5189 2.6197 2.7231 2.7231 2.0618 2.0618 2.2060 2.2060 1.1071 1.1071
C2 1.5794 2.6197 1.5189 2.0618 2.0618 2.7231 2.7231 1.1071 1.1071 2.2060 2.2060
N3 1.5189 2.6197 3.9806 4.1486 4.1486 1.0631 1.0631 2.8672 2.8672 2.1322 2.1322
N4 2.6197 1.5189 3.9806 1.0631 1.0631 4.1486 4.1486 2.1322 2.1322 2.8672 2.8672
H5 2.7231 2.0618 4.1486 1.0631 1.6491 4.2566 4.5649 2.4257 2.9722 2.5357 3.0626
H6 2.7231 2.0618 4.1486 1.0631 1.6491 4.5649 4.2566 2.9722 2.4257 3.0626 2.5357
H7 2.0618 2.7231 1.0631 4.1486 4.2566 4.5649 1.6491 2.5357 3.0626 2.4257 2.9722
H8 2.0618 2.7231 1.0631 4.1486 4.5649 4.2566 1.6491 3.0626 2.5357 2.9722 2.4257
H9 2.2060 1.1071 2.8672 2.1322 2.4257 2.9722 2.5357 3.0626 1.7888 2.5475 3.1128
H10 2.2060 1.1071 2.8672 2.1322 2.9722 2.4257 3.0626 2.5357 1.7888 3.1128 2.5475
H11 1.1071 2.2060 2.1322 2.8672 2.5357 3.0626 2.4257 2.9722 2.5475 3.1128 1.7888
H12 1.1071 2.2060 2.1322 2.8672 3.0626 2.5357 2.9722 2.4257 3.1128 2.5475 1.7888
Maximum atom distance is 4.5649Å between atoms H5 and H8.
picture of Ethylenediamine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 115.442 C2 C1 N3 115.442
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 109.135 C1 C2 H10 109.135
C1 N3 H7 104.596 C1 N3 H8 104.596
C2 C1 H11 109.135 C2 C1 H12 109.135
C2 N4 H5 104.596 C2 N4 H6 104.596
N3 C1 H11 107.543 N3 C1 H12 107.543
N4 C2 H9 107.543 N4 C2 H10 107.543
H5 N4 H6 101.715 H7 N3 H8 101.715
H9 C2 H10 107.784 H11 C1 H12 107.784

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