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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=

HSEh1PBE/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3124 0.5927 0.0401   0.5478 0.3857 0.0401
C2 -0.3124 -0.5927 0.0401   -0.5478 -0.3857 0.0401
N3 -0.3124 1.8458 -0.1079   1.8706 -0.0735 -0.1079
N4 0.3124 -1.8458 -0.1079   -1.8706 0.0735 -0.1079
H5 1.4010 0.6380 0.0406   0.4534 1.4711 0.0406
H6 -1.4010 -0.6380 0.0406   -0.4534 -1.4711 0.0406
H7 -1.3230 1.7932 -0.0864   1.9478 -1.0826 -0.0864
H8 1.3230 -1.7932 -0.0864   -1.9478 1.0826 -0.0864
H9 0.0081 2.5356 0.5602   2.5137 0.3326 0.5602
H10 -0.0081 -2.5356 0.5602   -2.5137 -0.3326 0.5602
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3399 1.4080 2.4429 1.0896 2.1095 2.0327 2.5942 2.0342 3.1874
C2 1.3399 2.4429 1.4080 2.1095 1.0896 2.5942 2.0327 3.1874 2.0342
N3 1.4080 2.4429 3.7440 2.1015 2.7159 1.0123 3.9896 1.0124 4.4425
N4 2.4429 1.4080 3.7440 2.7159 2.1015 3.9896 1.0123 4.4425 1.0124
H5 1.0896 2.1095 2.1015 2.7159 3.0788 2.9616 2.4357 2.4107 3.5110
H6 2.1095 1.0896 2.7159 2.1015 3.0788 2.4357 2.9616 3.5110 2.4107
H7 2.0327 2.5942 1.0123 3.9896 2.9616 2.4357 4.4569 1.6556 4.5701
H8 2.5942 2.0327 3.9896 1.0123 2.4357 2.9616 4.4569 4.5701 1.6556
H9 2.0342 3.1874 1.0124 4.4425 2.4107 3.5110 1.6556 4.5701 5.0713
H10 3.1874 2.0342 4.4425 1.0124 3.5110 2.4107 4.5701 1.6556 5.0713
Maximum atom distance is 5.0713Å 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 125.485 C2 C1 N3 125.485
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.172 C1 N3 H7 113.238
C1 N3 H9 113.370 C2 C1 H5 120.172
C2 N4 H8 113.238 C2 N4 H10 113.370
N3 C1 H5 113.976 N4 C2 H6 113.976
H7 N3 H9 109.717 H8 N4 H10 109.717

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