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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=

MP2=FULL/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1316 0.0000   0.0945 -0.0916 0.0000
C2 1.0815 -0.9225 0.0000   0.0900 1.4186 0.0000
N3 0.0761 1.4246 0.0000   1.0761 -0.9367 0.0000
O4 -1.2685 -0.4619 0.0000   -1.2144 -0.5896 0.0000
H5 2.0724 -0.4536 0.0000   1.1163 1.8040 0.0000
H6 0.9814 -1.5599 0.8873   -0.4374 1.7903 0.8873
H7 0.9814 -1.5599 -0.8873   -0.4374 1.7903 -0.8873
H8 1.0363 1.7876 0.0000   2.0049 -0.4997 0.0000
H9 -1.9446 0.2544 0.0000   -1.1705 -1.5735 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5102 1.2953 1.4005 2.1534 2.1475 2.1475 1.9535 1.9484
C2 1.5102 2.5534 2.3947 1.0962 1.0971 1.0971 2.7105 3.2468
N3 1.2953 2.5534 2.3166 2.7410 3.2426 3.2426 1.0265 2.3350
O4 1.4005 2.3947 2.3166 3.3409 2.6562 2.6562 3.2206 0.9849
H5 2.1534 1.0962 2.7410 3.3409 1.7892 1.7892 2.4692 4.0788
H6 2.1475 1.0971 3.2426 2.6562 1.7892 1.7746 3.4636 3.5553
H7 2.1475 1.0971 3.2426 2.6562 1.7892 1.7746 3.4636 3.5553
H8 1.9535 2.7105 1.0265 3.2206 2.4692 3.4636 3.4636 3.3520
H9 1.9484 3.2468 2.3350 0.9849 4.0788 3.5553 3.5553 3.3520
Maximum atom distance is 4.0788Å 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 130.900 C2 C1 O4 110.662
N3 C1 O4 118.438
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.410 C1 C2 H6 109.891
C1 C2 H7 109.891 C1 N3 H8 114.075
C1 O4 H9 108.274 H5 C2 H6 109.325
H5 C2 H7 109.325 H6 C2 H7 107.955

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