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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

B2PLYP=FULL/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4150 0.0000   0.0612 -0.4105 0.0000
C2 1.1497 -0.3780 0.0000   -1.1929 0.2042 0.0000
N3 -1.1881 -0.1318 0.0000   1.1557 0.3056 0.0000
H4 0.1371 1.4985 0.0000   0.0855 -1.5024 0.0000
H5 2.1352 0.0619 0.0000   -2.1027 -0.3762 0.0000
H6 1.0512 -1.4536 0.0000   -1.2541 1.2827 0.0000
H7 -1.9050 0.5933 0.0000   1.9717 -0.3057 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.3966 1.3079 1.0921 2.1642 2.1440 1.9133
C2 1.3966 2.3507 2.1323 1.0793 1.0802 3.2054
N3 1.3079 2.3507 2.1009 3.3290 2.6003 1.0196
H4 1.0921 2.1323 2.1009 2.4610 3.0904 2.2337
H5 2.1642 1.0793 3.3290 2.4610 1.8633 4.0750
H6 2.1440 1.0802 2.6003 3.0904 1.8633 3.5956
H7 1.9133 3.2054 1.0196 2.2337 4.0750 3.5956
Maximum atom distance is 4.0750Å 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 120.691
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.353 C1 C2 H6 119.362
C1 N3 H7 109.964 C2 C1 H4 117.386
N3 C1 H4 121.923 H5 C2 H6 119.285

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