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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=

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1338 0.0000   0.1000 -0.0890 0.0000
C2 0.9243 -1.0459 0.0000   -0.1664 1.3858 0.0000
N3 0.2705 1.3671 0.0000   1.2009 -0.7072 0.0000
O4 -1.2895 -0.2645 0.0000   -1.0551 -0.7870 0.0000
H5 1.9633 -0.7287 0.0000   0.7615 1.9508 0.0000
H6 0.7328 -1.6593 0.8787   -0.7518 1.6508 0.8787
H7 0.7328 -1.6593 -0.8787   -0.7518 1.6508 -0.8787
H8 1.2704 1.5241 0.0000   1.9830 -0.0648 0.0000
H9 -1.8229 0.5416 0.0000   -0.8079 -1.7215 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.4986 1.2626 1.3496 2.1445 2.1271 2.1271 1.8832 1.8680
C2 1.4986 2.5000 2.3476 1.0864 1.0886 1.0886 2.5931 3.1728
N3 1.2626 2.5000 2.2574 2.6941 3.1852 3.1852 1.0121 2.2503
O4 1.3496 2.3476 2.2574 3.2858 2.6091 2.6091 3.1228 0.9666
H5 2.1445 1.0864 2.6941 3.2858 1.7755 1.7755 2.3569 3.9937
H6 2.1271 1.0886 3.1852 2.6091 1.7755 1.7575 3.3459 3.4854
H7 2.1271 1.0886 3.1852 2.6091 1.7755 1.7575 3.3459 3.4854
H8 1.8832 2.5931 1.0121 3.1228 2.3569 3.3459 3.3459 3.2456
H9 1.8680 3.1728 2.2503 0.9666 3.9937 3.4854 3.4854 3.2456
Maximum atom distance is 3.9937Å 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 129.551 C2 C1 O4 110.909
N3 C1 O4 119.540
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.104 C1 C2 H6 109.580
C1 C2 H7 109.580 C1 N3 H8 111.290
C1 O4 H9 106.326 H5 C2 H6 109.433
H5 C2 H7 109.433 H6 C2 H7 107.642

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