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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=

CISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1334 0.0000   -0.0929 0.0957 0.0000
C2 1.0435 -0.9529 0.0000   1.4125 0.0435 0.0000
N3 0.1293 1.4048 0.0000   -0.8860 1.0978 0.0000
O4 -1.2758 -0.4090 0.0000   -0.6302 -1.1822 0.0000
H5 2.0480 -0.5236 0.0000   1.8340 1.0513 0.0000
H6 0.9194 -1.5849 0.8839   1.7638 -0.4964 0.8839
H7 0.9194 -1.5849 -0.8839   1.7638 -0.4964 -0.8839
H8 1.0890 1.7432 0.0000   -0.4333 2.0092 0.0000
H9 -1.9359 0.3055 0.0000   -1.6016 -1.1296 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5063 1.2779 1.3863 2.1508 2.1400 2.1400 1.9435 1.9435
C2 1.5063 2.5287 2.3822 1.0924 1.0937 1.0937 2.6964 3.2343
N3 1.2779 2.5287 2.2944 2.7204 3.2162 3.2162 1.0176 2.3395
O4 1.3863 2.3822 2.2944 3.3258 2.6425 2.6425 3.1975 0.9728
H5 2.1508 1.0924 2.7204 3.3258 1.7837 1.7837 2.4613 4.0693
H6 2.1400 1.0937 3.2162 2.6425 1.7837 1.7679 3.4477 3.5367
H7 2.1400 1.0937 3.2162 2.6425 1.7837 1.7679 3.4477 3.5367
H8 1.9435 2.6964 1.0176 3.1975 2.4613 3.4477 3.4477 3.3491
H9 1.9435 3.2343 2.3395 0.9728 4.0693 3.5367 3.5367 3.3491
Maximum atom distance is 4.0693Å 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 130.344 C2 C1 O4 110.816
N3 C1 O4 118.840
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.710 C1 C2 H6 109.763
C1 C2 H7 109.763 C1 N3 H8 115.227
C1 O4 H9 109.699 H5 C2 H6 109.357
H5 C2 H7 109.357 H6 C2 H7 107.838

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