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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=

B3LYP/LANL2DZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3186 0.5996 0.0511   0.5547 0.3917 0.0511
C2 -0.3186 -0.5996 0.0511   -0.5547 -0.3917 0.0511
N3 -0.3186 1.8604 -0.0811   1.8857 -0.0814 -0.0811
N4 0.3186 -1.8604 -0.0811   -1.8857 0.0814 -0.0811
H5 1.4077 0.6441 0.0609   0.4614 1.4777 0.0609
H6 -1.4077 -0.6441 0.0609   -0.4614 -1.4777 0.0609
H7 -1.3195 1.8788 -0.2286   2.0302 -1.0719 -0.2286
H8 1.3195 -1.8788 -0.2286   -2.0302 1.0719 -0.2286
H9 0.0642 2.6458 0.4288   2.6165 0.3974 0.4288
H10 -0.0642 -2.6458 0.4288   -2.6165 -0.3974 0.4288
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3580 1.4188 2.4636 1.0901 2.1277 2.0970 2.6875 2.0962 3.2896
C2 1.3580 2.4636 1.4188 2.1277 1.0901 2.6875 2.0970 3.2896 2.0962
N3 1.4188 2.4636 3.7749 2.1165 2.7347 1.0118 4.0849 1.0116 4.5420
N4 2.4636 1.4188 3.7749 2.7347 2.1165 4.0849 1.0118 4.5420 1.0116
H5 1.0901 2.1277 2.1165 2.7347 3.0962 3.0076 2.5409 2.4387 3.6228
H6 2.1277 1.0901 2.7347 2.1165 3.0962 2.5409 3.0076 3.6228 2.4387
H7 2.0970 2.6875 1.0118 4.0849 3.0076 2.5409 4.5916 1.7132 4.7412
H8 2.6875 2.0970 4.0849 1.0118 2.5409 3.0076 4.5916 4.7412 1.7132
H9 2.0962 3.2896 1.0116 4.5420 2.4387 3.6228 1.7132 4.7412 5.2931
H10 3.2896 2.0962 4.5420 1.0116 3.6228 2.4387 4.7412 1.7132 5.2931
Maximum atom distance is 5.2931Å 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 125.032 C2 C1 N3 125.032
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.317 C1 N3 H7 118.290
C1 N3 H9 118.226 C2 C1 H5 120.317
C2 N4 H8 118.290 C2 N4 H10 118.226
N3 C1 H5 114.412 N4 C2 H6 114.412
H7 N3 H9 115.699 H8 N4 H10 115.699

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