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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=

CCSD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1349 0.0000   0.1074 0.0817 0.0000
C2 0.9048 -1.0653 0.0000   -1.3957 0.0746 0.0000
N3 0.2985 1.3674 0.0000   0.9071 1.0658 0.0000
O4 -1.2969 -0.2416 0.0000   0.5934 -1.1782 0.0000
H5 1.9525 -0.7678 0.0000   -1.7936 1.0884 0.0000
H6 0.7011 -1.6779 0.8806   -1.7598 -0.4586 0.8806
H7 0.7011 -1.6779 -0.8806   -1.7598 -0.4586 -0.8806
H8 1.3061 1.4892 0.0000   0.3937 1.9413 0.0000
H9 -1.8042 0.5779 0.0000   1.5527 -1.0854 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5031 1.2681 1.3504 2.1511 2.1339 2.1339 1.8815 1.8578
C2 1.5031 2.5071 2.3507 1.0891 1.0919 1.0919 2.5858 3.1684
N3 1.2681 2.5071 2.2658 2.7008 3.1955 3.1955 1.0149 2.2460
O4 1.3504 2.3507 2.2658 3.2917 2.6136 2.6136 3.1259 0.9638
H5 2.1511 1.0891 2.7008 3.2917 1.7803 1.7803 2.3477 3.9904
H6 2.1339 1.0919 3.1955 2.6136 1.7803 1.7612 3.3425 3.4844
H7 2.1339 1.0919 3.1955 2.6136 1.7803 1.7612 3.3425 3.4844
H8 1.8815 2.5858 1.0149 3.1259 2.3477 3.3425 3.3425 3.2410
H9 1.8578 3.1684 2.2460 0.9638 3.9904 3.4844 3.4844 3.2410
Maximum atom distance is 3.9904Å 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 129.374 C2 C1 O4 110.821
N3 C1 O4 119.805
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.158 C1 C2 H6 109.618
C1 C2 H7 109.618 C1 N3 H8 110.511
C1 O4 H9 105.570 H5 C2 H6 109.432
H5 C2 H7 109.432 H6 C2 H7 107.508

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