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Geometry for C2H3NO (Nitrosoethylene) 1A' CS

1910171554
InChI=1S/C2H3NO/c1-2-3-4/h2H,1H2 INChIKey=

PBEPBEultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2182 1.2271 0.0000   0.1640 1.7213 0.0000
C2 0.0000 0.6504 0.0000   0.4999 0.4160 0.0000
N3 -0.0393 -0.7837 0.0000   -0.5773 -0.5315 0.0000
O4 -1.1920 -1.2335 0.0000   -0.1857 -1.7052 0.0000
H5 2.1103 0.5919 0.0000   -0.8949 2.0007 0.0000
H6 1.3517 2.3121 0.0000   0.9126 2.5180 0.0000
H7 -0.9607 1.1848 0.0000   1.5252 0.0194 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7
C1 1.3478 2.3716 3.4444 1.0951 1.0932 2.1794
C2 1.3478 1.4346 2.2293 2.1111 2.1421 1.0993
N3 2.3716 1.4346 1.2373 2.5521 3.3940 2.1735
O4 3.4444 2.2293 1.2373 3.7732 4.3637 2.4293
H5 1.0951 2.1111 2.5521 3.7732 1.8800 3.1277
H6 1.0932 2.1421 3.3940 4.3637 1.8800 2.5726
H7 2.1794 1.0993 2.1735 2.4293 3.1277 2.5726
Maximum atom distance is 4.3637Å between atoms O4 and H6.
picture of Nitrosoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 116.902 C2 N3 O4 112.886
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 125.584 C2 C1 H5 119.214
C2 C1 H6 122.348 N3 C2 H7 117.514
H5 C1 H6 118.437

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