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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

BLYP/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4189 0.0000   -0.0565 0.4151 0.0000
C2 1.1616 -0.3721 0.0000   1.2012 -0.2121 0.0000
N3 -1.2013 -0.1435 0.0000   -1.1710 -0.3041 0.0000
H4 0.1407 1.5139 0.0000   -0.0648 1.5191 0.0000
H5 2.1548 0.0744 0.0000   2.1251 0.3643 0.0000
H6 1.0679 -1.4579 0.0000   1.2547 -1.3006 0.0000
H7 -1.9241 0.5930 0.0000   -1.9864 0.3281 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.4054 1.3264 1.1040 2.1822 2.1593 1.9319
C2 1.4054 2.3740 2.1447 1.0890 1.0898 3.2331
N3 1.3264 2.3740 2.1326 3.3632 2.6224 1.0318
H4 1.1040 2.1447 2.1326 2.4756 3.1131 2.2608
H5 2.1822 1.0890 3.3632 2.4756 1.8787 4.1117
H6 2.1593 1.0898 2.6224 3.1131 1.8787 3.6274
H7 1.9319 3.2331 1.0318 2.2608 4.1117 3.6274
Maximum atom distance is 4.1117Å 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 120.660
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.536 C1 C2 H6 119.320
C1 N3 H7 109.377 C2 C1 H4 116.933
N3 C1 H4 122.407 H5 C2 H6 119.144

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