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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=

B3LYP/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1307 0.0000   0.0996 0.0846 0.0000
C2 0.9442 -1.0396 0.0000   -1.4036 0.0466 0.0000
N3 0.2544 1.3793 0.0000   0.8865 1.0868 0.0000
O4 -1.2969 -0.2809 0.0000   0.6254 -1.1703 0.0000
H5 1.9853 -0.7011 0.0000   -1.8196 1.0593 0.0000
H6 0.7632 -1.6649 0.8852   -1.7630 -0.4961 0.8852
H7 0.7632 -1.6649 -0.8852   -1.7630 -0.4961 -0.8852
H8 1.2587 1.5538 0.0000   0.3694 1.9653 0.0000
H9 -1.8411 0.5228 0.0000   1.5904 -1.0648 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5037 1.2742 1.3606 2.1525 2.1425 2.1425 1.8999 1.8824
C2 1.5037 2.5152 2.3659 1.0948 1.0988 1.0988 2.6124 3.1936
N3 1.2742 2.5152 2.2722 2.7062 3.2108 3.2108 1.0194 2.2638
O4 1.3606 2.3659 2.2722 3.3089 2.6349 2.6349 3.1460 0.9707
H5 2.1525 1.0948 2.7062 3.3089 1.7906 1.7906 2.3691 4.0174
H6 2.1425 1.0988 3.2108 2.6349 1.7906 1.7705 3.3748 3.5146
H7 2.1425 1.0988 3.2108 2.6349 1.7906 1.7705 3.3748 3.5146
H8 1.8999 2.6124 1.0194 3.1460 2.3691 3.3748 3.3748 3.2668
H9 1.8824 3.1936 2.2638 0.9707 4.0174 3.5146 3.5146 3.2668
Maximum atom distance is 4.0174Å 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 129.588 C2 C1 O4 111.284
N3 C1 O4 119.128
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.885 C1 C2 H6 109.846
C1 C2 H7 109.846 C1 N3 H8 111.377
C1 O4 H9 106.492 H5 C2 H6 109.426
H5 C2 H7 109.426 H6 C2 H7 107.339

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