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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

B1B95/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4557 0.0000   0.0760 -0.4493 0.0000
C2 1.1573 -0.3052 0.0000   -1.1921 0.1078 0.0000
N3 -1.3033 -0.0175 0.0000   1.2821 0.2347 0.0000
H4 0.0928 1.5526 0.0000   0.1676 -1.5463 0.0000
H5 2.1490 0.1568 0.0000   -2.0927 -0.5132 0.0000
H6 1.1154 -1.3998 0.0000   -1.3333 1.1941 0.0000
H7 -1.1784 -1.0902 0.0000   0.9800 1.2716 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.3851 1.3865 1.1008 2.1697 2.1650 1.9438
C2 1.3851 2.4774 2.1412 1.0940 1.0954 2.4642
N3 1.3865 2.4774 2.1009 3.4567 2.7858 1.0800
H4 1.1008 2.1412 2.1009 2.4852 3.1245 2.9326
H5 2.1697 1.0940 3.4567 2.4852 1.8686 3.5534
H6 2.1650 1.0954 2.7858 3.1245 1.8686 2.3146
H7 1.9438 2.4642 1.0800 2.9326 3.5534 2.3146
Maximum atom distance is 3.5534Å 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 126.724
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.697 C1 C2 H6 121.127
C1 N3 H7 103.316 C2 C1 H4 118.488
N3 C1 H4 114.788 H5 C2 H6 117.176

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