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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=

B3PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1378 0.0000   0.1013 0.0934 0.0000
C2 1.0383 -0.9530 0.0000   -1.4045 0.1170 0.0000
N3 0.1219 1.4033 0.0000   0.9488 1.0412 0.0000
O4 -1.2654 -0.4141 0.0000   0.5536 -1.2109 0.0000
H5 2.0480 -0.5364 0.0000   -1.7829 1.1416 0.0000
H6 0.9015 -1.5861 0.8836   -1.7771 -0.4128 0.8836
H7 0.9015 -1.5861 -0.8836   -1.7771 -0.4128 -0.8836
H8 1.0935 1.7403 0.0000   0.5377 1.9837 0.0000
H9 -1.9046 0.3490 0.0000   1.5480 -1.1633 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5059 1.2714 1.3805 2.1561 2.1367 2.1367 1.9400 1.9163
C2 1.5059 2.5282 2.3659 1.0923 1.0956 1.0956 2.6938 3.2181
N3 1.2714 2.5282 2.2865 2.7336 3.2133 3.2133 1.0283 2.2844
O4 1.3805 2.3659 2.2865 3.3157 2.6173 2.6173 3.1947 0.9955
H5 2.1561 1.0923 2.7336 3.3157 1.7881 1.7881 2.4686 4.0506
H6 2.1367 1.0956 3.2133 2.6173 1.7881 1.7672 3.4471 3.5214
H7 2.1367 1.0956 3.2133 2.6173 1.7881 1.7672 3.4471 3.5214
H8 1.9400 2.6938 1.0283 3.1947 2.4686 3.4471 3.4471 3.3052
H9 1.9163 3.2181 2.2844 0.9955 4.0506 3.5214 3.5214 3.3052
Maximum atom distance is 4.0506Å 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 130.907 C2 C1 O4 110.025
N3 C1 O4 119.067
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.169 C1 C2 H6 109.421
C1 C2 H7 109.421 C1 N3 H8 114.629
C1 O4 H9 106.384 H5 C2 H6 109.623
H5 C2 H7 109.623 H6 C2 H7 107.508

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