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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=

B3PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1321 0.0000   0.0964 -0.0903 0.0000
C2 0.9203 -1.0549 0.0000   -0.1403 1.3928 0.0000
N3 0.2767 1.3728 0.0000   1.1908 -0.7370 0.0000
O4 -1.2942 -0.2579 0.0000   -1.0732 -0.7679 0.0000
H5 1.9662 -0.7449 0.0000   0.8012 1.9439 0.0000
H6 0.7277 -1.6746 0.8809   -0.7241 1.6762 0.8809
H7 0.7277 -1.6746 -0.8809   -0.7241 1.6762 -0.8809
H8 1.2834 1.5209 0.0000   1.9874 -0.1037 0.0000
H9 -1.8101 0.5635 0.0000   -0.8268 -1.7060 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5019 1.2712 1.3516 2.1529 2.1377 2.1377 1.8910 1.8608
C2 1.5019 2.5116 2.3535 1.0909 1.0941 1.0941 2.6013 3.1740
N3 1.2712 2.5116 2.2643 2.7091 3.2041 3.2041 1.0176 2.2383
O4 1.3516 2.3535 2.2643 3.2965 2.6213 2.6213 3.1318 0.9700
H5 2.1529 1.0909 2.7091 3.2965 1.7816 1.7816 2.3664 3.9965
H6 2.1377 1.0941 3.2041 2.6213 1.7816 1.7619 3.3609 3.4965
H7 2.1377 1.0941 3.2041 2.6213 1.7816 1.7619 3.3609 3.4965
H8 1.8910 2.6013 1.0176 3.1318 2.3664 3.3609 3.3609 3.2383
H9 1.8608 3.1740 2.2383 0.9700 3.9965 3.4965 3.4965 3.2383
Maximum atom distance is 3.9965Å 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 129.642 C2 C1 O4 111.017
N3 C1 O4 119.341
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.278 C1 C2 H6 109.865
C1 C2 H7 109.865 C1 N3 H8 110.939
C1 O4 H9 105.366 H5 C2 H6 109.247
H5 C2 H7 109.247 H6 C2 H7 107.249

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