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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/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3154 0.5931 0.0367   0.6290 0.2359 0.0367
C2 -0.3154 -0.5931 0.0367   -0.6290 -0.2359 0.0367
N3 -0.3154 1.8515 -0.1141   1.7950 -0.5526 -0.1141
N4 0.3154 -1.8515 -0.1141   -1.7950 0.5526 -0.1141
H5 1.4033 0.6328 0.0353   0.8093 1.3095 0.0353
H6 -1.4033 -0.6328 0.0353   -0.8093 -1.3095 0.0353
H7 -1.3231 1.7645 -0.0514   1.5782 -1.5406 -0.0514
H8 1.3231 -1.7645 -0.0514   -1.5782 1.5406 -0.0514
H9 -0.0080 2.5066 0.5947   2.4845 -0.3327 0.5947
H10 0.0080 -2.5066 0.5947   -2.4845 0.3327 0.5947
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3436 1.4157 2.4493 1.0886 2.1111 2.0161 2.5655 2.0193 3.1645
C2 1.3436 2.4493 1.4157 2.1111 1.0886 2.5655 2.0161 3.1645 2.0193
N3 1.4157 2.4493 3.7563 2.1122 2.7162 1.0134 3.9704 1.0130 4.4272
N4 2.4493 1.4157 3.7563 2.7162 2.1122 3.9704 1.0134 4.4272 1.0130
H5 1.0886 2.1111 2.1122 2.7162 3.0787 2.9533 2.4002 2.4116 3.4808
H6 2.1111 1.0886 2.7162 2.1122 3.0787 2.4002 2.9533 3.4808 2.4116
H7 2.0161 2.5655 1.0134 3.9704 2.9533 2.4002 4.4110 1.6425 4.5202
H8 2.5655 2.0161 3.9704 1.0134 2.4002 2.9533 4.4110 4.5202 1.6425
H9 2.0193 3.1645 1.0130 4.4272 2.4116 3.4808 1.6425 4.5202 5.0133
H10 3.1645 2.0193 4.4272 1.0130 3.4808 2.4116 4.5202 1.6425 5.0133
Maximum atom distance is 5.0133Å 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 125.141 C2 C1 N3 125.141
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.092 C1 N3 H7 111.113
C1 N3 H9 111.413 C2 C1 H5 120.092
C2 N4 H8 111.113 C2 N4 H10 111.413
N3 C1 H5 114.379 N4 C2 H6 114.379
H7 N3 H9 108.296 H8 N4 H10 108.296

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