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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(T)=FULL/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1325 0.0000   0.1011 -0.0856 0.0000
C2 0.9179 -1.0681 0.0000   -0.2216 1.3908 0.0000
N3 0.2902 1.3829 0.0000   1.2427 -0.6725 0.0000
O4 -1.3070 -0.2508 0.0000   -1.0362 -0.8351 0.0000
H5 1.9753 -0.7591 0.0000   0.6977 1.9978 0.0000
H6 0.7163 -1.6890 0.8907   -0.8257 1.6383 0.8907
H7 0.7163 -1.6890 -0.8907   -0.8257 1.6383 -0.8907
H8 1.3120 1.4899 0.0000   1.9849 0.0380 0.0000
H9 -1.8026 0.5869 0.0000   -0.7174 -1.7547 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5112 1.2837 1.3621 2.1672 2.1504 2.1504 1.8878 1.8590
C2 1.5112 2.5301 2.3703 1.1016 1.1043 1.1043 2.5881 3.1843
N3 1.2837 2.5301 2.2848 2.7254 3.2267 3.2267 1.0274 2.2390
O4 1.3621 2.3703 2.2848 3.3214 2.6373 2.6373 3.1447 0.9733
H5 2.1672 1.1016 2.7254 3.3214 1.8008 1.8008 2.3447 4.0104
H6 2.1504 1.1043 3.2267 2.6373 1.8008 1.7813 3.3546 3.5096
H7 2.1504 1.1043 3.2267 2.6373 1.8008 1.7813 3.3546 3.5096
H8 1.8878 2.5881 1.0274 3.1447 2.3447 3.3546 3.3546 3.2428
H9 1.8590 3.1843 2.2390 0.9733 4.0104 3.5096 3.5096 3.2428
Maximum atom distance is 4.0104Å 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 129.534 C2 C1 O4 111.056
N3 C1 O4 119.410
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.111 C1 C2 H6 109.621
C1 C2 H7 109.621 C1 N3 H8 109.043
C1 O4 H9 104.262 H5 C2 H6 109.447
H5 C2 H7 109.447 H6 C2 H7 107.521

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