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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=

HSEh1PBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1308 0.0000   0.1033 0.0802 0.0000
C2 0.9132 -1.0559 0.0000   -1.3941 0.0734 0.0000
N3 0.2833 1.3690 0.0000   0.9073 1.0636 0.0000
O4 -1.2941 -0.2505 0.0000   0.5961 -1.1756 0.0000
H5 1.9665 -0.7505 0.0000   -1.7991 1.0925 0.0000
H6 0.7135 -1.6792 0.8846   -1.7638 -0.4667 0.8846
H7 0.7135 -1.6792 -0.8846   -1.7638 -0.4667 -0.8846
H8 1.2966 1.5016 0.0000   0.3904 1.9452 0.0000
H9 -1.8001 0.5789 0.0000   1.5615 -1.0664 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.4973 1.2703 1.3491 2.1549 2.1372 2.1372 1.8869 1.8551
C2 1.4973 2.5054 2.3496 1.0966 1.1004 1.1004 2.5861 3.1678
N3 1.2703 2.5054 2.2608 2.7065 3.2030 3.2030 1.0219 2.2282
O4 1.3491 2.3496 2.2608 3.2986 2.6180 2.6180 3.1276 0.9716
H5 2.1549 1.0966 2.7065 3.2986 1.7930 1.7930 2.3496 3.9943
H6 2.1372 1.1004 3.2030 2.6180 1.7930 1.7692 3.3527 3.4929
H7 2.1372 1.1004 3.2030 2.6180 1.7930 1.7692 3.3527 3.4929
H8 1.8869 2.5861 1.0219 3.1276 2.3496 3.3527 3.3527 3.2313
H9 1.8551 3.1678 2.2282 0.9716 3.9943 3.4929 3.4929 3.2313
Maximum atom distance is 3.9943Å 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 129.530 C2 C1 O4 111.165
N3 C1 O4 119.304
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.413 C1 C2 H6 109.769
C1 C2 H7 109.769 C1 N3 H8 110.343
C1 O4 H9 104.971 H5 C2 H6 109.393
H5 C2 H7 109.393 H6 C2 H7 107.000

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