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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=

CCSD(T)/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3163 0.5910 0.0309   0.5449 0.3905 0.0309
C2 -0.3163 -0.5910 0.0309   -0.5449 -0.3905 0.0309
N3 -0.3163 1.8563 -0.1119   1.8817 -0.0722 -0.1119
N4 0.3163 -1.8563 -0.1119   -1.8817 0.0722 -0.1119
H5 1.4015 0.6300 0.0310   0.4424 1.4715 0.0310
H6 -1.4015 -0.6300 0.0310   -0.4424 -1.4715 0.0310
H7 -1.3226 1.7668 -0.0393   1.9238 -1.0817 -0.0393
H8 1.3226 -1.7668 -0.0393   -1.9238 1.0817 -0.0393
H9 -0.0087 2.5008 0.6061   2.4807 0.3166 0.6061
H10 0.0087 -2.5008 0.6061   -2.4807 -0.3166 0.6061
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3407 1.4218 2.4515 1.0859 2.1076 2.0183 2.5646 2.0208 3.1599
C2 1.3407 2.4515 1.4218 2.1076 1.0859 2.5646 2.0183 3.1599 2.0208
N3 1.4218 2.4515 3.7661 2.1155 2.7166 1.0129 3.9773 1.0127 4.4278
N4 2.4515 1.4218 3.7661 2.7166 2.1155 3.9773 1.0129 4.4278 1.0127
H5 1.0859 2.1076 2.1155 2.7166 3.0732 2.9527 2.3992 2.4123 3.4746
H6 2.1076 1.0859 2.7166 2.1155 3.0732 2.3992 2.9527 3.4746 2.4123
H7 2.0183 2.5646 1.0129 3.9773 2.9527 2.3992 4.4141 1.6376 4.5168
H8 2.5646 2.0183 3.9773 1.0129 2.3992 2.9527 4.4141 4.5168 1.6376
H9 2.0208 3.1599 1.0127 4.4278 2.4123 3.4746 1.6376 4.5168 5.0016
H10 3.1599 2.0208 4.4278 1.0127 3.4746 2.4123 4.5168 1.6376 5.0016
Maximum atom distance is 5.0016Å 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 125.076 C2 C1 N3 125.076
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.213 C1 N3 H7 110.870
C1 N3 H9 111.101 C2 C1 H5 120.213
C2 N4 H8 110.870 C2 N4 H10 111.101
N3 C1 H5 114.375 N4 C2 H6 114.375
H7 N3 H9 107.891 H8 N4 H10 107.891

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