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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/CEP-121G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3161 0.5960 0.0420   0.6316 0.2372 0.0420
C2 -0.3161 -0.5960 0.0420   -0.6316 -0.2372 0.0420
N3 -0.3161 1.8710 -0.1168   1.8153 -0.5527 -0.1168
N4 0.3161 -1.8710 -0.1168   -1.8153 0.5527 -0.1168
H5 1.4082 0.6419 0.0402   0.8167 1.3146 0.0402
H6 -1.4082 -0.6419 0.0402   -0.8167 -1.3146 0.0402
H7 -1.3312 1.7896 -0.0777   1.6047 -1.5492 -0.0777
H8 1.3312 -1.7896 -0.0777   -1.6047 1.5492 -0.0777
H9 -0.0172 2.5294 0.6028   2.5065 -0.3405 0.6028
H10 0.0172 -2.5294 0.6028   -2.5065 0.3405 0.6028
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3493 1.4319 2.4722 1.0931 2.1226 2.0378 2.5955 2.0405 3.1894
C2 1.3493 2.4722 1.4319 2.1226 1.0931 2.5955 2.0378 3.1894 2.0405
N3 1.4319 2.4722 3.7951 2.1233 2.7444 1.0192 4.0144 1.0201 4.4713
N4 2.4722 1.4319 3.7951 2.7444 2.1233 4.0144 1.0192 4.4713 1.0201
H5 1.0931 2.1226 2.1233 2.7444 3.0952 2.9725 2.4356 2.4313 3.5084
H6 2.1226 1.0931 2.7444 2.1233 3.0952 2.4356 2.9725 3.5084 2.4313
H7 2.0378 2.5955 1.0192 4.0144 2.9725 2.4356 4.4610 1.6545 4.5756
H8 2.5955 2.0378 4.0144 1.0192 2.4356 2.9725 4.4610 4.5756 1.6545
H9 2.0405 3.1894 1.0201 4.4713 2.4313 3.5084 1.6545 4.5756 5.0590
H10 3.1894 2.0405 4.4713 1.0201 3.5084 2.4313 4.5756 1.6545 5.0590
Maximum atom distance is 5.0590Å 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 125.441 C2 C1 N3 125.441
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.336 C1 N3 H7 111.369
C1 N3 H9 111.540 C2 C1 H5 120.336
C2 N4 H8 111.369 C2 N4 H10 111.540
N3 C1 H5 113.801 N4 C2 H6 113.801
H7 N3 H9 108.443 H8 N4 H10 108.443

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