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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=

wB97X-D/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3117 0.5891 0.0321   0.5444 0.3845 0.0321
C2 -0.3117 -0.5891 0.0321   -0.5444 -0.3845 0.0321
N3 -0.3117 1.8481 -0.1065   1.8728 -0.0726 -0.1065
N4 0.3117 -1.8481 -0.1065   -1.8728 0.0726 -0.1065
H5 1.3990 0.6317 0.0321   0.4475 1.4683 0.0321
H6 -1.3990 -0.6317 0.0321   -0.4475 -1.4683 0.0321
H7 -1.3202 1.7860 -0.0588   1.9403 -1.0807 -0.0588
H8 1.3202 -1.7860 -0.0588   -1.9403 1.0807 -0.0588
H9 0.0129 2.5170 0.5792   2.4947 0.3349 0.5792
H10 -0.0129 -2.5170 0.5792   -2.4947 -0.3349 0.5792
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3330 1.4116 2.4412 1.0882 2.1016 2.0258 2.5820 2.0262 3.1706
C2 1.3330 2.4412 1.4116 2.1016 1.0882 2.5820 2.0258 3.1706 2.0262
N3 1.4116 2.4412 3.7484 2.1036 2.7113 1.0115 3.9840 1.0114 4.4287
N4 2.4412 1.4116 3.7484 2.7113 2.1036 3.9840 1.0115 4.4287 1.0114
H5 1.0882 2.1016 2.1036 2.7113 3.0700 2.9554 2.4207 2.4031 3.4939
H6 2.1016 1.0882 2.7113 2.1036 3.0700 2.4207 2.9554 3.4939 2.4031
H7 2.0258 2.5820 1.0115 3.9840 2.9554 2.4207 4.4419 1.6488 4.5423
H8 2.5820 2.0258 3.9840 1.0115 2.4207 2.9554 4.4419 4.5423 1.6488
H9 2.0262 3.1706 1.0114 4.4287 2.4031 3.4939 1.6488 4.5423 5.0341
H10 3.1706 2.0262 4.4287 1.0114 3.4939 2.4031 4.5423 1.6488 5.0341
Maximum atom distance is 5.0341Å 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 125.580 C2 C1 N3 125.580
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.124 C1 N3 H7 112.389
C1 N3 H9 112.432 C2 C1 H5 120.124
C2 N4 H8 112.389 C2 N4 H10 112.432
N3 C1 H5 113.974 N4 C2 H6 113.974
H7 N3 H9 109.181 H8 N4 H10 109.181

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