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Geometry for CH2CHNH (vinylazine) 2A" CS trans

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

MP2/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4447 0.0000   0.0834 -0.4368 0.0000
C2 1.1430 -0.3525 0.0000   -1.1889 0.1318 0.0000
N3 -1.2689 0.0394 0.0000   1.2537 0.1994 0.0000
H4 0.1398 1.5231 0.0000   0.1484 -1.5222 0.0000
H5 2.1338 0.0844 0.0000   -2.0801 -0.4833 0.0000
H6 1.0754 -1.4365 0.0000   -1.3259 1.2092 0.0000
H7 -1.3252 -0.9995 0.0000   1.1141 1.2304 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.3935 1.3320 1.0874 2.1640 2.1669 1.9600
C2 1.3935 2.4435 2.1270 1.0829 1.0861 2.5516
N3 1.3320 2.4435 2.0459 3.4029 2.7702 1.0404
H4 1.0874 2.1270 2.0459 2.4588 3.1039 2.9171
H5 2.1640 1.0829 3.4029 2.4588 1.8529 3.6248
H6 2.1669 1.0861 2.7702 3.1039 1.8529 2.4401
H7 1.9600 2.5516 1.0404 2.9171 3.6248 2.4401
Maximum atom distance is 3.6248Å 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 127.393
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.307 C1 C2 H6 121.326
C1 N3 H7 110.817 C2 C1 H4 117.505
N3 C1 H4 115.102 H5 C2 H6 117.366

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