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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/3-21G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3131 0.5936 0.0417   0.5490 0.3860 0.0417
C2 -0.3131 -0.5936 0.0417   -0.5490 -0.3860 0.0417
N3 -0.3131 1.8573 -0.0936   1.8821 -0.0743 -0.0936
N4 0.3131 -1.8573 -0.0936   -1.8821 0.0743 -0.0936
H5 1.4003 0.6331 0.0515   0.4499 1.4694 0.0515
H6 -1.4003 -0.6331 0.0515   -0.4499 -1.4694 0.0515
H7 -1.3283 1.8420 -0.1710   1.9960 -1.0832 -0.1710
H8 1.3283 -1.8420 -0.1710   -1.9960 1.0832 -0.1710
H9 0.0290 2.5918 0.5241   2.5670 0.3585 0.5241
H10 -0.0290 -2.5918 0.5241   -2.5670 -0.3585 0.5241
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3422 1.4168 2.4546 1.0880 2.1073 2.0731 2.6473 2.0751 3.2398
C2 1.3422 2.4546 1.4168 2.1073 1.0880 2.6473 2.0731 3.2398 2.0751
N3 1.4168 2.4546 3.7670 2.1107 2.7213 1.0183 4.0478 1.0188 4.5007
N4 2.4546 1.4168 3.7670 2.7213 2.1107 4.0478 1.0183 4.5007 1.0188
H5 1.0880 2.1073 2.1107 2.7213 3.0735 2.9926 2.4861 2.4372 3.5590
H6 2.1073 1.0880 2.7213 2.1107 3.0735 2.4861 2.9926 3.5590 2.4372
H7 2.0731 2.6473 1.0183 4.0478 2.9926 2.4861 4.5419 1.6993 4.6722
H8 2.6473 2.0731 4.0478 1.0183 2.4861 2.9926 4.5419 4.6722 1.6993
H9 2.0751 3.2398 1.0188 4.5007 2.4372 3.5590 1.6993 4.6722 5.1838
H10 3.2398 2.0751 4.5007 1.0188 3.5590 2.4372 4.6722 1.6993 5.1838
Maximum atom distance is 5.1838Å 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 125.648 C2 C1 N3 125.648
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.888 C1 N3 H7 115.749
C1 N3 H9 115.895 C2 C1 H5 119.888
C2 N4 H8 115.749 C2 N4 H10 115.895
N3 C1 H5 114.210 N4 C2 H6 114.210
H7 N3 H9 113.060 H8 N4 H10 113.060

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