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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=

MP4/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3201 0.5987 0.0384   0.5517 0.3957 0.0384
C2 -0.3201 -0.5987 0.0384   -0.5517 -0.3957 0.0384
N3 -0.3201 1.8709 -0.1157   1.8967 -0.0726 -0.1157
N4 0.3201 -1.8709 -0.1157   -1.8967 0.0726 -0.1157
H5 1.4186 0.6431 0.0393   0.4520 1.4905 0.0393
H6 -1.4186 -0.6431 0.0393   -0.4520 -1.4905 0.0393
H7 -1.3375 1.7830 -0.0705   1.9427 -1.0927 -0.0705
H8 1.3375 -1.7830 -0.0705   -1.9427 1.0927 -0.0705
H9 -0.0268 2.5269 0.6109   2.5087 0.3041 0.6109
H10 0.0268 -2.5269 0.6109   -2.5087 -0.3041 0.6109
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3579 1.4325 2.4744 1.0993 2.1367 2.0402 2.5923 2.0411 3.1912
C2 1.3579 2.4744 1.4325 2.1367 1.0993 2.5923 2.0402 3.1912 2.0411
N3 1.4325 2.4744 3.7961 2.1341 2.7479 1.0222 4.0126 1.0219 4.4709
N4 2.4744 1.4325 3.7961 2.7479 2.1341 4.0126 1.0222 4.4709 1.0219
H5 1.0993 2.1367 2.1341 2.7479 3.1151 2.9846 2.4300 2.4422 3.5090
H6 2.1367 1.0993 2.7479 2.1341 3.1151 2.4300 2.9846 3.5090 2.4422
H7 2.0402 2.5923 1.0222 4.0126 2.9846 2.4300 4.4579 1.6540 4.5718
H8 2.5923 2.0402 4.0126 1.0222 2.4300 2.9846 4.4579 4.5718 1.6540
H9 2.0411 3.1912 1.0219 4.4709 2.4422 3.5090 1.6540 4.5718 5.0541
H10 3.1912 2.0411 4.4709 1.0219 3.5090 2.4422 4.5718 1.6540 5.0541
Maximum atom distance is 5.0541Å 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 124.917 C2 C1 N3 124.917
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.447 C1 N3 H7 111.334
C1 N3 H9 111.428 C2 C1 H5 120.447
C2 N4 H8 111.334 C2 N4 H10 111.428
N3 C1 H5 114.258 N4 C2 H6 114.258
H7 N3 H9 108.024 H8 N4 H10 108.024

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