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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=

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1306 0.0000   0.1005 -0.0834 0.0000
C2 0.9466 -1.0419 0.0000   -0.1975 1.3938 0.0000
N3 0.2468 1.3908 0.0000   1.2279 -0.6981 0.0000
O4 -1.2981 -0.2880 0.0000   -1.0505 -0.8152 0.0000
H5 1.9999 -0.7094 0.0000   0.7310 1.9922 0.0000
H6 0.7636 -1.6772 0.8902   -0.8033 1.6586 0.8902
H7 0.7636 -1.6772 -0.8902   -0.8033 1.6586 -0.8902
H8 1.2672 1.5506 0.0000   2.0025 -0.0148 0.0000
H9 -1.8164 0.5497 0.0000   -0.7367 -1.7489 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5070 1.2841 1.3640 2.1692 2.1550 2.1550 1.9032 1.8641
C2 1.5070 2.5314 2.3680 1.1046 1.1089 1.1089 2.6123 3.1887
N3 1.2841 2.5314 2.2814 2.7357 3.2361 3.2361 1.0328 2.2281
O4 1.3640 2.3680 2.2814 3.3249 2.6407 2.6407 3.1561 0.9851
H5 2.1692 1.1046 2.7357 3.3249 1.8049 1.8049 2.3758 4.0187
H6 2.1550 1.1089 3.2361 2.6407 1.8049 1.7804 3.3860 3.5225
H7 2.1550 1.1089 3.2361 2.6407 1.8049 1.7804 3.3860 3.5225
H8 1.9032 2.6123 1.0328 3.1561 2.3758 3.3860 3.3860 3.2420
H9 1.8641 3.1887 2.2281 0.9851 4.0187 3.5225 3.5225 3.2420
Maximum atom distance is 4.0187Å 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 130.005 C2 C1 O4 111.041
N3 C1 O4 118.954
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.394 C1 C2 H6 110.006
C1 C2 H7 110.006 C1 N3 H8 109.983
C1 O4 H9 103.873 H5 C2 H6 109.261
H5 C2 H7 109.261 H6 C2 H7 106.800

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