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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=

M06-2X/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1347 0.0000   0.1049 0.0845 0.0000
C2 0.9193 -1.0520 0.0000   -1.3959 0.0556 0.0000
N3 0.2795 1.3658 0.0000   0.8880 1.0747 0.0000
O4 -1.2920 -0.2567 0.0000   0.6109 -1.1670 0.0000
H5 1.9622 -0.7414 0.0000   -1.8086 1.0625 0.0000
H6 0.7179 -1.6644 0.8804   -1.7464 -0.4855 0.8804
H7 0.7179 -1.6644 -0.8804   -1.7464 -0.4855 -0.8804
H8 1.2840 1.5130 0.0000   0.3722 1.9492 0.0000
H9 -1.8183 0.5531 0.0000   1.5717 -1.0686 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5011 1.2624 1.3500 2.1489 2.1277 2.1277 1.8837 1.8658
C2 1.5011 2.5010 2.3500 1.0882 1.0912 1.0912 2.5908 3.1735
N3 1.2624 2.5010 2.2588 2.6967 3.1858 3.1858 1.0152 2.2497
O4 1.3500 2.3500 2.2588 3.2901 2.6070 2.6070 3.1253 0.9658
H5 2.1489 1.0882 2.6967 3.2901 1.7819 1.7819 2.3542 3.9960
H6 2.1277 1.0912 3.1858 2.6070 1.7819 1.7607 3.3453 3.4821
H7 2.1277 1.0912 3.1858 2.6070 1.7819 1.7607 3.3453 3.4821
H8 1.8837 2.5908 1.0152 3.1253 2.3542 3.3453 3.3453 3.2474
H9 1.8658 3.1735 2.2497 0.9658 3.9960 3.4821 3.4821 3.2474
Maximum atom distance is 3.9960Å 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 129.445 C2 C1 O4 110.911
N3 C1 O4 119.644
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.183 C1 C2 H6 109.309
C1 C2 H7 109.309 C1 N3 H8 111.124
C1 O4 H9 106.167 H5 C2 H6 109.698
H5 C2 H7 109.698 H6 C2 H7 107.569

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