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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=

CCD/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1421 0.0000   0.1010 0.0999 0.0000
C2 1.0509 -0.9559 0.0000   -1.4187 0.0744 0.0000
N3 0.1220 1.4114 0.0000   0.9173 1.0796 0.0000
O4 -1.2787 -0.4224 0.0000   0.5993 -1.2060 0.0000
H5 2.0586 -0.5246 0.0000   -1.8210 1.0940 0.0000
H6 0.9183 -1.5857 0.8888   -1.7730 -0.4629 0.8888
H7 0.9183 -1.5857 -0.8888   -1.7730 -0.4629 -0.8888
H8 1.0971 1.7447 0.0000   0.4682 2.0071 0.0000
H9 -1.9217 0.3343 0.0000   1.5895 -1.1306 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5198 1.2752 1.3978 2.1638 2.1490 2.1490 1.9422 1.9313
C2 1.5198 2.5430 2.3899 1.0961 1.0974 1.0974 2.7010 3.2406
N3 1.2752 2.5430 2.3076 2.7383 3.2259 3.2259 1.0305 2.3101
O4 1.3978 2.3899 2.3076 3.3388 2.6401 2.6401 3.2157 0.9931
H5 2.1638 1.0961 2.7383 3.3388 1.7934 1.7934 2.4645 4.0719
H6 2.1490 1.0974 3.2259 2.6401 1.7934 1.7777 3.4516 3.5415
H7 2.1490 1.0974 3.2259 2.6401 1.7934 1.7777 3.4516 3.5415
H8 1.9422 2.7010 1.0305 3.2157 2.4645 3.4516 3.4516 3.3320
H9 1.9313 3.2406 2.3101 0.9931 4.0719 3.5415 3.5415 3.3320
Maximum atom distance is 4.0719Å 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 130.767 C2 C1 O4 109.926
N3 C1 O4 119.308
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.570 C1 C2 H6 109.332
C1 C2 H7 109.332 C1 N3 H8 114.358
C1 O4 H9 106.535 H5 C2 H6 109.689
H5 C2 H7 109.689 H6 C2 H7 108.186

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