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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=

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1368 0.0000   0.1073 0.0849 0.0000
C2 0.8841 -1.0755 0.0000   -1.3920 0.0264 0.0000
N3 0.3201 1.3436 0.0000   0.8553 1.0846 0.0000
O4 -1.2901 -0.2082 0.0000   0.6369 -1.1411 0.0000
H5 1.9301 -0.8019 0.0000   -1.8262 1.0165 0.0000
H6 0.6714 -1.6795 0.8740   -1.7338 -0.5151 0.8740
H7 0.6714 -1.6795 -0.8740   -1.7338 -0.5151 -0.8740
H8 1.3102 1.4723 0.0000   0.3421 1.9409 0.0000
H9 -1.8078 0.5806 0.0000   1.5767 -1.0578 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5004 1.2486 1.3355 2.1462 2.1245 2.1245 1.8709 1.8614
C2 1.5004 2.4840 2.3408 1.0811 1.0834 1.0834 2.5831 3.1605
N3 1.2486 2.4840 2.2363 2.6824 3.1664 3.1664 0.9984 2.2606
O4 1.3355 2.3408 2.2363 3.2745 2.6031 2.6031 3.0961 0.9434
H5 2.1462 1.0811 2.6824 3.2745 1.7658 1.7658 2.3572 3.9853
H6 2.1245 1.0834 3.1664 2.6031 1.7658 1.7479 3.3325 3.4667
H7 2.1245 1.0834 3.1664 2.6031 1.7658 1.7479 3.3325 3.4667
H8 1.8709 2.5831 0.9984 3.0961 2.3572 3.3325 3.3325 3.2430
H9 1.8614 3.1605 2.2606 0.9434 3.9853 3.4667 3.4667 3.2430
Maximum atom distance is 3.9853Å 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 129.040 C2 C1 O4 111.130
N3 C1 O4 119.830
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.447 C1 C2 H6 109.558
C1 C2 H7 109.558 C1 N3 H8 112.261
C1 O4 H9 108.303 H5 C2 H6 109.326
H5 C2 H7 109.326 H6 C2 H7 107.541

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