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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=

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1328 0.0000   0.1027 0.0843 0.0000
C2 0.9550 -1.0299 0.0000   -1.4020 0.0847 0.0000
N3 0.2352 1.3866 0.0000   0.9226 1.0616 0.0000
O4 -1.2911 -0.3012 0.0000   0.5863 -1.1890 0.0000
H5 1.9928 -0.6842 0.0000   -1.7932 1.1062 0.0000
H6 0.7784 -1.6519 0.8849   -1.7706 -0.4464 0.8849
H7 0.7784 -1.6519 -0.8849   -1.7706 -0.4464 -0.8849
H8 1.2413 1.5653 0.0000   0.4224 1.9526 0.0000
H9 -1.8386 0.5083 0.0000   1.5594 -1.0986 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5046 1.2757 1.3621 2.1537 2.1387 2.1387 1.8955 1.8765
C2 1.5046 2.5215 2.3613 1.0939 1.0959 1.0959 2.6110 3.1890
N3 1.2757 2.5215 2.2756 2.7161 3.2110 3.2110 1.0218 2.2521
O4 1.3621 2.3613 2.2756 3.3061 2.6248 2.6248 3.1459 0.9772
H5 2.1537 1.0939 2.7161 3.3061 1.7872 1.7872 2.3717 4.0126
H6 2.1387 1.0959 3.2110 2.6248 1.7872 1.7698 3.3686 3.5068
H7 2.1387 1.0959 3.2110 2.6248 1.7872 1.7698 3.3686 3.5068
H8 1.8955 2.6110 1.0218 3.1459 2.3717 3.3686 3.3686 3.2562
H9 1.8765 3.1890 2.2521 0.9772 4.0126 3.5068 3.5068 3.2562
Maximum atom distance is 4.0126Å 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 129.978 C2 C1 O4 110.816
N3 C1 O4 119.206
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.972 C1 C2 H6 109.649
C1 C2 H7 109.649 C1 N3 H8 110.697
C1 O4 H9 105.493 H5 C2 H6 109.407
H5 C2 H7 109.407 H6 C2 H7 107.693

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