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Geometry for C2H3NO (Nitrosoethylene) 1A' CS

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

SVWN/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2112 1.1934 0.0000   0.1110 1.6967 0.0000
C2 0.0000 0.6445 0.0000   0.4876 0.4214 0.0000
N3 -0.0501 -0.7579 0.0000   -0.5406 -0.5334 0.0000
O4 -1.1752 -1.2132 0.0000   -0.1495 -1.6825 0.0000
H5 2.0812 0.5314 0.0000   -0.9587 1.9222 0.0000
H6 1.3627 2.2728 0.0000   0.8286 2.5171 0.0000
H7 -0.9585 1.1792 0.0000   1.5189 0.0458 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7
C1 1.3298 2.3234 3.3892 1.0932 1.0899 2.1697
C2 1.3298 1.4032 2.1983 2.0843 2.1233 1.0975
N3 2.3234 1.4032 1.2138 2.4909 3.3438 2.1395
O4 3.3892 2.1983 1.2138 3.6944 4.3120 2.4023
H5 1.0932 2.0843 2.4909 3.6944 1.8837 3.1079
H6 1.0899 2.1233 3.3438 4.3120 1.8837 2.5659
H7 2.1697 1.0975 2.1395 2.4023 3.1079 2.5659
Maximum atom distance is 4.3120Å 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 116.427 C2 N3 O4 114.082
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.462 C2 C1 H5 118.353
C2 C1 H6 122.372 N3 C2 H7 117.111
H5 C1 H6 119.276

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