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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/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3127 0.5886 0.0323   0.6240 0.2340 0.0323
C2 -0.3127 -0.5886 0.0323   -0.6240 -0.2340 0.0323
N3 -0.3127 1.8417 -0.1090   1.7859 -0.5480 -0.1090
N4 0.3127 -1.8417 -0.1090   -1.7859 0.5480 -0.1090
H5 1.3905 0.6231 0.0364   0.7975 1.2983 0.0364
H6 -1.3905 -0.6231 0.0364   -0.7975 -1.2983 0.0364
H7 -1.3168 1.7647 -0.0572   1.5798 -1.5337 -0.0572
H8 1.3168 -1.7647 -0.0572   -1.5798 1.5337 -0.0572
H9 -0.0029 2.4989 0.5902   2.4776 -0.3257 0.5902
H10 0.0029 -2.4989 0.5902   -2.4776 0.3257 0.5902
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3330 1.4077 2.4344 1.0783 2.0902 2.0116 2.5601 2.0150 3.1528
C2 1.3330 2.4344 1.4077 2.0902 1.0783 2.5601 2.0116 3.1528 2.0150
N3 1.4077 2.4344 3.7362 2.0993 2.6941 1.0084 3.9578 1.0084 4.4079
N4 2.4344 1.4077 3.7362 2.6941 2.0993 3.9578 1.0084 4.4079 1.0084
H5 1.0783 2.0902 2.0993 2.6941 3.0474 2.9396 2.3908 2.4014 3.4611
H6 2.0902 1.0783 2.6941 2.0993 3.0474 2.3908 2.9396 3.4611 2.4014
H7 2.0116 2.5601 1.0084 3.9578 2.9396 2.3908 4.4037 1.6384 4.5099
H8 2.5601 2.0116 3.9578 1.0084 2.3908 2.9396 4.4037 4.5099 1.6384
H9 2.0150 3.1528 1.0084 4.4079 2.4014 3.4611 1.6384 4.5099 4.9978
H10 3.1528 2.0150 4.4079 1.0084 3.4611 2.4014 4.5099 1.6384 4.9978
Maximum atom distance is 4.9978Å 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 125.292 C2 C1 N3 125.292
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.814 C1 N3 H7 111.666
C1 N3 H9 111.965 C2 C1 H5 119.814
C2 N4 H8 111.666 C2 N4 H10 111.965
N3 C1 H5 114.578 N4 C2 H6 114.578
H7 N3 H9 108.666 H8 N4 H10 108.666

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