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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=

BLYP/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3154 0.5998 0.0498   0.6352 0.2362 0.0498
C2 -0.3154 -0.5998 0.0498   -0.6352 -0.2362 0.0498
N3 -0.3154 1.8732 -0.1073   1.8175 -0.5523 -0.1073
N4 0.3154 -1.8732 -0.1073   -1.8175 0.5523 -0.1073
H5 1.4100 0.6432 0.0599   0.8181 1.3162 0.0599
H6 -1.4100 -0.6432 0.0599   -0.8181 -1.3162 0.0599
H7 -1.3437 1.8382 -0.1460   1.6514 -1.5677 -0.1460
H8 1.3437 -1.8382 -0.1460   -1.6514 1.5677 -0.1460
H9 0.0187 2.6038 0.5383   2.5848 -0.3143 0.5383
H10 -0.0187 -2.6038 0.5383   -2.5848 0.3143 0.5383
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3553 1.4298 2.4779 1.0954 2.1265 2.0797 2.6532 2.0839 3.2577
C2 1.3553 2.4779 1.4298 2.1265 1.0954 2.6532 2.0797 3.2577 2.0839
N3 1.4298 2.4779 3.7991 2.1255 2.7492 1.0296 4.0655 1.0306 4.5330
N4 2.4779 1.4298 3.7991 2.7492 2.1255 4.0655 1.0296 4.5330 1.0306
H5 1.0954 2.1265 2.1255 2.7492 3.0995 3.0089 2.4908 2.4512 3.5795
H6 2.1265 1.0954 2.7492 2.1255 3.0995 2.4908 3.0089 3.5795 2.4512
H7 2.0797 2.6532 1.0296 4.0655 3.0089 2.4908 4.5540 1.7060 4.6857
H8 2.6532 2.0797 4.0655 1.0296 2.4908 3.0089 4.5540 4.6857 1.7060
H9 2.0839 3.2577 1.0306 4.5330 2.4512 3.5795 1.7060 4.6857 5.2077
H10 3.2577 2.0839 4.5330 1.0306 3.5795 2.4512 4.6857 1.7060 5.2077
Maximum atom distance is 5.2077Å 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 125.653 C2 C1 N3 125.653
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.013 C1 N3 H7 114.493
C1 N3 H9 114.805 C2 C1 H5 120.013
C2 N4 H8 114.493 C2 N4 H10 114.805
N3 C1 H5 113.990 N4 C2 H6 113.990
H7 N3 H9 111.800 H8 N4 H10 111.800

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