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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/CEP-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3326 0.6141 0.0590   0.6520 0.2501 0.0590
C2 -0.3326 -0.6141 0.0590   -0.6520 -0.2501 0.0590
N3 -0.3326 1.8978 -0.1005   1.8387 -0.5759 -0.1005
N4 0.3326 -1.8978 -0.1005   -1.8387 0.5759 -0.1005
H5 1.4330 0.6656 0.0554   0.8458 1.3346 0.0554
H6 -1.4330 -0.6656 0.0554   -0.8458 -1.3346 0.0554
H7 -1.3499 1.8677 -0.2079   1.6769 -1.5807 -0.2079
H8 1.3499 -1.8677 -0.2079   -1.6769 1.5807 -0.2079
H9 -0.0048 2.6559 0.5023   2.6328 -0.3492 0.5023
H10 0.0048 -2.6559 0.5023   -2.6328 0.3492 0.5023
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3967 1.4546 2.5170 1.1017 2.1806 2.1151 2.6955 2.1165 3.3161
C2 1.3967 2.5170 1.4546 2.1806 1.1017 2.6955 2.1151 3.3161 2.1165
N3 1.4546 2.5170 3.8535 2.1587 2.7940 1.0234 4.1257 1.0225 4.6058
N4 2.5170 1.4546 3.8535 2.7940 2.1587 4.1257 1.0234 4.6058 1.0225
H5 1.1017 2.1806 2.1587 2.7940 3.1601 3.0429 2.5483 2.4957 3.6430
H6 2.1806 1.1017 2.7940 2.1587 3.1601 2.5483 3.0429 3.6430 2.4957
H7 2.1151 2.6955 1.0234 4.1257 3.0429 2.5483 4.6090 1.7131 4.7752
H8 2.6955 2.1151 4.1257 1.0234 2.5483 3.0429 4.6090 4.7752 1.7131
H9 2.1165 3.3161 1.0225 4.6058 2.4957 3.6430 1.7131 4.7752 5.3118
H10 3.3161 2.1165 4.6058 1.0225 3.6430 2.4957 4.7752 1.7131 5.3118
Maximum atom distance is 5.3118Å 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 123.936 C2 C1 N3 123.936
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 121.119 C1 N3 H7 116.111
C1 N3 H9 116.302 C2 C1 H5 121.119
C2 N4 H8 116.111 C2 N4 H10 116.302
N3 C1 H5 114.529 N4 C2 H6 114.529
H7 N3 H9 113.722 H8 N4 H10 113.722

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