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Geometry for CH3C(OH)=NH (Ethaninidic acid) 1A' CS

1910171554
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) INChIKey=

HSEh1PBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1372 0.0000   0.1081 -0.0845 0.0000
C2 1.0328 -0.9533 0.0000   -0.1154 1.4007 0.0000
N3 0.1265 1.3998 0.0000   1.1809 -0.7621 0.0000
O4 -1.2635 -0.4096 0.0000   -1.1007 -0.7435 0.0000
H5 2.0432 -0.5402 0.0000   0.8322 1.9426 0.0000
H6 0.8936 -1.5859 0.8829   -0.6996 1.6806 0.8829
H7 0.8936 -1.5859 -0.8829   -0.6996 1.6806 -0.8829
H8 1.0974 1.7345 0.0000   2.0424 -0.2031 0.0000
H9 -1.9015 0.3528 0.0000   -0.8926 -1.7156 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5019 1.2688 1.3768 2.1525 2.1324 2.1324 1.9379 1.9136
C2 1.5019 2.5216 2.3598 1.0916 1.0950 1.0950 2.6886 3.2118
N3 1.2688 2.5216 2.2817 2.7271 3.2066 3.2066 1.0270 2.2822
O4 1.3768 2.3598 2.2817 3.3093 2.6108 2.6108 3.1892 0.9942
H5 2.1525 1.0916 2.7271 3.3093 1.7873 1.7873 2.4635 4.0445
H6 2.1324 1.0950 3.2066 2.6108 1.7873 1.7657 3.4419 3.5144
H7 2.1324 1.0950 3.2066 2.6108 1.7873 1.7657 3.4419 3.5144
H8 1.9379 2.6886 1.0270 3.1892 2.4635 3.4419 3.4419 3.3018
H9 1.9136 3.2118 2.2822 0.9942 4.0445 3.5144 3.5144 3.3018
Maximum atom distance is 4.0445Å between atoms H5 and H9.
picture of Ethaninidic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 N3 130.838 C2 C1 O4 110.038
N3 C1 O4 119.124
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.203 C1 C2 H6 109.397
C1 C2 H7 109.397 C1 N3 H8 114.745
C1 O4 H9 106.515 H5 C2 H6 109.650
H5 C2 H7 109.650 H6 C2 H7 107.466

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