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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=

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1374 0.0000   0.1077 -0.0854 0.0000
C2 0.8806 -1.0812 0.0000   -0.3002 1.3617 0.0000
N3 0.3249 1.3455 0.0000   1.2562 -0.5812 0.0000
O4 -1.2911 -0.2043 0.0000   -0.9621 -0.8849 0.0000
H5 1.9303 -0.8092 0.0000   0.5650 2.0154 0.0000
H6 0.6644 -1.6855 0.8769   -0.9081 1.5677 0.8769
H7 0.6644 -1.6855 -0.8769   -0.9081 1.5677 -0.8769
H8 1.3172 1.4683 0.0000   1.9689 0.1201 0.0000
H9 -1.8054 0.5904 0.0000   -0.6589 -1.7816 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5035 1.2510 1.3356 2.1500 2.1292 2.1292 1.8725 1.8614
C2 1.5035 2.4895 2.3420 1.0844 1.0867 1.0867 2.5866 3.1637
N3 1.2510 2.4895 2.2391 2.6870 3.1735 3.1735 0.9999 2.2602
O4 1.3356 2.3420 2.2391 3.2778 2.6052 2.6052 3.0985 0.9466
H5 2.1500 1.0844 2.6870 3.2778 1.7719 1.7719 2.3586 3.9894
H6 2.1292 1.0867 3.1735 2.6052 1.7719 1.7537 3.3379 3.4711
H7 2.1292 1.0867 3.1735 2.6052 1.7719 1.7537 3.3379 3.4711
H8 1.8725 2.5866 0.9999 3.0985 2.3586 3.3379 3.3379 3.2437
H9 1.8614 3.1637 2.2602 0.9466 3.9894 3.4711 3.4711 3.2437
Maximum atom distance is 3.9894Å 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 129.093 C2 C1 O4 111.028
N3 C1 O4 119.879
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.328 C1 C2 H6 109.526
C1 C2 H7 109.526 C1 N3 H8 112.108
C1 O4 H9 108.088 H5 C2 H6 109.394
H5 C2 H7 109.394 H6 C2 H7 107.593

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