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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

B1B95/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4170 0.0000   -0.0579 0.4130 0.0000
C2 1.1491 -0.3737 0.0000   1.1899 -0.2106 0.0000
N3 -1.1891 -0.1395 0.0000   -1.1582 -0.3032 0.0000
H4 0.1430 1.5095 0.0000   -0.0678 1.5148 0.0000
H5 2.1444 0.0678 0.0000   2.1142 0.3647 0.0000
H6 1.0446 -1.4584 0.0000   1.2369 -1.2994 0.0000
H7 -1.9030 0.5975 0.0000   -1.9675 0.3276 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.3949 1.3129 1.1018 2.1726 2.1467 1.9116
C2 1.3949 2.3499 2.1351 1.0887 1.0898 3.2029
N3 1.3129 2.3499 2.1199 3.3399 2.5940 1.0261
H4 1.1018 2.1351 2.1199 2.4665 3.1019 2.2401
H5 2.1726 1.0887 3.3399 2.4665 1.8812 4.0819
H6 2.1467 1.0898 2.5940 3.1019 1.8812 3.5938
H7 1.9116 3.2029 1.0261 2.2401 4.0819 3.5938
Maximum atom distance is 4.0819Å 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 120.390
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 121.549 C1 C2 H6 119.024
C1 N3 H7 109.010 C2 C1 H4 117.072
N3 C1 H4 122.539 H5 C2 H6 119.427

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