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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=

B97D3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1313 0.0000   0.1020 -0.0826 0.0000
C2 0.9516 -1.0395 0.0000   -0.2094 1.3936 0.0000
N3 0.2468 1.3883 0.0000   1.2345 -0.6815 0.0000
O4 -1.2990 -0.2902 0.0000   -1.0427 -0.8272 0.0000
H5 1.9920 -0.6985 0.0000   0.7101 1.9879 0.0000
H6 0.7756 -1.6655 0.8850   -0.8068 1.6506 0.8850
H7 0.7756 -1.6655 -0.8850   -0.8068 1.6506 -0.8850
H8 1.2538 1.5616 0.0000   2.0026 -0.0076 0.0000
H9 -1.8425 0.5203 0.0000   -0.7546 -1.7596 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5087 1.2811 1.3656 2.1579 2.1478 2.1478 1.9021 1.8832
C2 1.5087 2.5281 2.3720 1.0948 1.0982 1.0982 2.6186 3.2000
N3 1.2811 2.5281 2.2819 2.7204 3.2231 3.2231 1.0218 2.2625
O4 1.3656 2.3720 2.2819 3.3162 2.6417 2.6417 3.1537 0.9759
H5 2.1579 1.0948 2.7204 3.3162 1.7882 1.7882 2.3776 4.0236
H6 2.1478 1.0982 3.2231 2.6417 1.7882 1.7701 3.3802 3.5236
H7 2.1478 1.0982 3.2231 2.6417 1.7882 1.7701 3.3802 3.5236
H8 1.9021 2.6186 1.0218 3.1537 2.3776 3.3802 3.3802 3.2668
H9 1.8832 3.2000 2.2625 0.9759 4.0236 3.5236 3.5236 3.2668
Maximum atom distance is 4.0236Å 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 129.787 C2 C1 O4 111.129
N3 C1 O4 119.084
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.959 C1 C2 H6 109.951
C1 C2 H7 109.951 C1 N3 H8 110.869
C1 O4 H9 105.873 H5 C2 H6 109.256
H5 C2 H7 109.256 H6 C2 H7 107.391

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