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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=

B97D3/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3129 0.5937 0.0432   0.6287 0.2347 0.0432
C2 -0.3129 -0.5937 0.0432   -0.6287 -0.2347 0.0432
N3 -0.3129 1.8545 -0.1169   1.7995 -0.5467 -0.1169
N4 0.3129 -1.8545 -0.1169   -1.7995 0.5467 -0.1169
H5 1.4020 0.6385 0.0462   0.8120 1.3092 0.0462
H6 -1.4020 -0.6385 0.0462   -0.8120 -1.3092 0.0462
H7 -1.3235 1.7882 -0.0499   1.6050 -1.5406 -0.0499
H8 1.3235 -1.7882 -0.0499   -1.6050 1.5406 -0.0499
H9 0.0126 2.5351 0.5627   2.5160 -0.3106 0.5627
H10 -0.0126 -2.5351 0.5627   -2.5160 0.3106 0.5627
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3422 1.4166 2.4534 1.0901 2.1117 2.0282 2.5891 2.0320 3.1882
C2 1.3422 2.4534 1.4166 2.1117 1.0901 2.5891 2.0282 3.1882 2.0320
N3 1.4166 2.4534 3.7614 2.1086 2.7254 1.0150 3.9940 1.0154 4.4520
N4 2.4534 1.4166 3.7614 2.7254 2.1086 3.9940 1.0150 4.4520 1.0154
H5 1.0901 2.1117 2.1086 2.7254 3.0812 2.9597 2.4299 2.4071 3.5128
H6 2.1117 1.0901 2.7254 2.1086 3.0812 2.4299 2.9597 3.5128 2.4071
H7 2.0282 2.5891 1.0150 3.9940 2.9597 2.4299 4.4495 1.6487 4.5590
H8 2.5891 2.0282 3.9940 1.0150 2.4299 2.9597 4.4495 4.5590 1.6487
H9 2.0320 3.1882 1.0154 4.4520 2.4071 3.5128 1.6487 4.5590 5.0702
H10 3.1882 2.0320 4.4520 1.0154 3.5128 2.4071 4.5590 1.6487 5.0702
Maximum atom distance is 5.0702Å 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 125.545 C2 C1 N3 125.545
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.150 C1 N3 H7 111.983
C1 N3 H9 112.289 C2 C1 H5 120.150
C2 N4 H8 111.983 C2 N4 H10 112.289
N3 C1 H5 113.896 N4 C2 H6 113.896
H7 N3 H9 108.587 H8 N4 H10 108.587

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