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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=

B2PLYP/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3151 0.5931 0.0402   0.5477 0.3887 0.0402
C2 -0.3151 -0.5931 0.0402   -0.5477 -0.3887 0.0402
N3 -0.3151 1.8611 -0.0958   1.8861 -0.0733 -0.0958
N4 0.3151 -1.8611 -0.0958   -1.8861 0.0733 -0.0958
H5 1.4006 0.6335 0.0486   0.4482 1.4704 0.0486
H6 -1.4006 -0.6335 0.0486   -0.4482 -1.4704 0.0486
H7 -1.3299 1.8320 -0.1648   1.9877 -1.0834 -0.1648
H8 1.3299 -1.8320 -0.1648   -1.9877 1.0834 -0.1648
H9 0.0130 2.5800 0.5451   2.5570 0.3444 0.5451
H10 -0.0130 -2.5800 0.5451   -2.5570 -0.3444 0.5451
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3432 1.4224 2.4579 1.0863 2.1090 2.0695 2.6368 2.0722 3.2297
C2 1.3432 2.4579 1.4224 2.1090 1.0863 2.6368 2.0695 3.2297 2.0722
N3 1.4224 2.4579 3.7751 2.1145 2.7243 1.0176 4.0434 1.0175 4.4973
N4 2.4579 1.4224 3.7751 2.7243 2.1145 4.0434 1.0176 4.4973 1.0175
H5 1.0863 2.1090 2.1145 2.7243 3.0743 2.9895 2.4757 2.4415 3.5456
H6 2.1090 1.0863 2.7243 2.1145 3.0743 2.4757 2.9895 3.5456 2.4415
H7 2.0695 2.6368 1.0176 4.0434 2.9895 2.4757 4.5276 1.6932 4.6588
H8 2.6368 2.0695 4.0434 1.0176 2.4757 2.9895 4.5276 4.6588 1.6932
H9 2.0722 3.2297 1.0175 4.4973 2.4415 3.5456 1.6932 4.6588 5.1601
H10 3.2297 2.0722 4.4973 1.0175 3.5456 2.4415 4.6588 1.6932 5.1601
Maximum atom distance is 5.1601Å 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 125.408 C2 C1 N3 125.408
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.107 C1 N3 H7 115.012
C1 N3 H9 115.266 C2 C1 H5 120.107
C2 N4 H8 115.012 C2 N4 H10 115.266
N3 C1 H5 114.223 N4 C2 H6 114.223
H7 N3 H9 112.613 H8 N4 H10 112.613

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