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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

MP2/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4162 0.0000   -0.0697 0.4103 0.0000
C2 1.1375 -0.4018 0.0000   1.1887 -0.2057 0.0000
N3 -1.1788 -0.1072 0.0000   -1.1442 -0.3031 0.0000
H4 0.1677 1.4964 0.0000   -0.0852 1.5034 0.0000
H5 2.1335 0.0138 0.0000   2.1011 0.3708 0.0000
H6 1.0088 -1.4742 0.0000   1.2414 -1.2845 0.0000
H7 -1.8834 0.6286 0.0000   -1.9620 0.3043 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.4010 1.2898 1.0932 2.1712 2.1427 1.8953
C2 1.4010 2.3349 2.1316 1.0793 1.0801 3.1917
N3 1.2898 2.3349 2.0940 3.3145 2.5795 1.0188
H4 1.0932 2.1316 2.0940 2.4622 3.0874 2.2272
H5 2.1712 1.0793 3.3145 2.4622 1.8652 4.0637
H6 2.1427 1.0801 2.5795 3.0874 1.8652 3.5758
H7 1.8953 3.1917 1.0188 2.2272 4.0637 3.5758
Maximum atom distance is 4.0637Å 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 120.337
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.634 C1 C2 H6 118.878
C1 N3 H7 109.816 C2 C1 H4 116.894
N3 C1 H4 122.769 H5 C2 H6 119.488

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