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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=FULL/daug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3133 0.5887 0.0349   0.5429 0.3871 0.0349
C2 -0.3133 -0.5887 0.0349   -0.5429 -0.3871 0.0349
N3 -0.3133 1.8406 -0.1078   1.8657 -0.0713 -0.1078
N4 0.3133 -1.8406 -0.1078   -1.8657 0.0713 -0.1078
H5 1.3937 0.6248 0.0386   0.4383 1.4631 0.0386
H6 -1.3937 -0.6248 0.0386   -0.4383 -1.4631 0.0386
H7 -1.3196 1.7696 -0.0820   1.9261 -1.0783 -0.0820
H8 1.3196 -1.7696 -0.0820   -1.9261 1.0783 -0.0820
H9 -0.0114 2.5052 0.5883   2.4854 0.3144 0.5883
H10 0.0114 -2.5052 0.5883   -2.4854 -0.3144 0.5883
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3336 1.4072 2.4335 1.0810 2.0943 2.0185 2.5666 2.0211 3.1574
C2 1.3336 2.4335 1.4072 2.0943 1.0810 2.5666 2.0185 3.1574 2.0211
N3 1.4072 2.4335 3.7342 2.1008 2.6957 1.0092 3.9624 1.0086 4.4131
N4 2.4335 1.4072 3.7342 2.6957 2.1008 3.9624 1.0092 4.4131 1.0086
H5 1.0810 2.0943 2.1008 2.6957 3.0546 2.9473 2.3985 2.4108 3.4655
H6 2.0943 1.0810 2.6957 2.1008 3.0546 2.3985 2.9473 3.4655 2.4108
H7 2.0185 2.5666 1.0092 3.9624 2.9473 2.3985 4.4148 1.6437 4.5270
H8 2.5666 2.0185 3.9624 1.0092 2.3985 2.9473 4.4148 4.5270 1.6437
H9 2.0211 3.1574 1.0086 4.4131 2.4108 3.4655 1.6437 4.5270 5.0104
H10 3.1574 2.0211 4.4131 1.0086 3.4655 2.4108 4.5270 1.6437 5.0104
Maximum atom distance is 5.0104Å 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 125.184 C2 C1 N3 125.184
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.937 C1 N3 H7 112.257
C1 N3 H9 112.517 C2 C1 H5 119.937
C2 N4 H8 112.257 C2 N4 H10 112.517
N3 C1 H5 114.556 N4 C2 H6 114.556
H7 N3 H9 109.102 H8 N4 H10 109.102

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