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Geometry for CH2CHNH (vinylazine) 2A" CS cis

1910171554
InChI=1S/C2H4N/c1-2-3/h2-3H,1H2 INChIKey=NWMFLNMQDRCAOB-UHFFFAOYSA-N

wB97X-D/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4183 0.0000   0.0567 -0.4144 0.0000
C2 1.1533 -0.3704 0.0000   -1.1929 0.2106 0.0000
N3 -1.1904 -0.1426 0.0000   1.1600 0.3027 0.0000
H4 0.1232 1.5068 0.0000   0.0823 -1.5096 0.0000
H5 2.1413 0.0774 0.0000   -2.1111 -0.3670 0.0000
H6 1.0616 -1.4519 0.0000   -1.2487 1.2945 0.0000
H7 -1.9134 0.5786 0.0000   1.9742 -0.3137 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.3972 1.3159 1.0955 2.1683 2.1505 1.9201
C2 1.3972 2.3547 2.1413 1.0847 1.0854 3.2102
N3 1.3159 2.3547 2.1086 3.3389 2.6049 1.0213
H4 1.0955 2.1413 2.1086 2.4731 3.1040 2.2382
H5 2.1683 1.0847 3.3389 2.4731 1.8720 4.0856
H6 2.1505 1.0854 2.6049 3.1040 1.8720 3.6019
H7 1.9201 3.2102 1.0213 2.2382 4.0856 3.6019
Maximum atom distance is 4.0856Å between atoms H5 and H7.
picture of vinylazine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 N3 120.403
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.255 C1 C2 H6 119.519
C1 N3 H7 109.845 C2 C1 H4 117.910
N3 C1 H4 121.687 H5 C2 H6 119.226

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