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Geometry for C2H3NO (Nitrosoethylene) 1A' CS

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

PBEPBE/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2172 1.2217 0.0000   1.7187 0.1419 0.0000
C2 0.0000 0.6535 0.0000   0.4994 -0.4216 0.0000
N3 -0.0445 -0.7795 0.0000   -0.6243 0.4689 0.0000
O4 -1.1863 -1.2327 0.0000   -1.7071 -0.1112 0.0000
H5 2.0991 0.5760 0.0000   1.7943 1.2324 0.0000
H6 1.3584 2.3032 0.0000   2.6361 -0.4479 0.0000
H7 -0.9588 1.1873 0.0000   0.2886 -1.4985 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7
C1 1.3433 2.3658 3.4352 1.0931 1.0907 2.1763
C2 1.3433 1.4337 2.2282 2.1006 2.1370 1.0974
N3 2.3658 1.4337 1.2284 2.5363 3.3869 2.1689
O4 3.4352 2.2282 1.2284 3.7504 4.3563 2.4306
H5 1.0931 2.1006 2.5363 3.7504 1.8794 3.1185
H6 1.0907 2.1370 3.3869 4.3563 1.8794 2.5719
H7 2.1763 1.0974 2.1689 2.4306 3.1185 2.5719
Maximum atom distance is 4.3563Å 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 116.803 C2 N3 O4 113.426
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 125.873 C2 C1 H5 118.765
C2 C1 H6 122.460 N3 C2 H7 117.324
H5 C1 H6 118.775

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