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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=

TPSSh/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1305 0.0000   0.0945 -0.0900 0.0000
C2 1.0611 -0.9340 0.0000   0.0556 1.4125 0.0000
N3 0.0943 1.4115 0.0000   1.0871 -0.9053 0.0000
O4 -1.2644 -0.4356 0.0000   -1.1875 -0.6150 0.0000
H5 2.0585 -0.4898 0.0000   1.0652 1.8283 0.0000
H6 0.9497 -1.5722 0.8822   -0.4833 1.7721 0.8822
H7 0.9497 -1.5722 -0.8822   -0.4833 1.7721 -0.8822
H8 1.0563 1.7643 0.0000   2.0060 -0.4520 0.0000
H9 -1.9255 0.2951 0.0000   -1.1144 -1.5977 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5030 1.2845 1.3854 2.1499 2.1400 2.1400 1.9455 1.9325
C2 1.5030 2.5369 2.3783 1.0918 1.0946 1.0946 2.6982 3.2296
N3 1.2845 2.5369 2.2930 2.7338 3.2269 3.2269 1.0247 2.3078
O4 1.3854 2.3783 2.2930 3.3234 2.6406 2.6406 3.1977 0.9854
H5 2.1499 1.0918 2.7338 3.3234 1.7831 1.7831 2.4668 4.0606
H6 2.1400 1.0946 3.2269 2.6406 1.7831 1.7645 3.4528 3.5401
H7 2.1400 1.0946 3.2269 2.6406 1.7831 1.7645 3.4528 3.5401
H8 1.9455 2.6982 1.0247 3.1977 2.4668 3.4528 3.4528 3.3241
H9 1.9325 3.2296 2.3078 0.9854 4.0606 3.5401 3.5401 3.3241
Maximum atom distance is 4.0606Å 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 130.882 C2 C1 O4 110.789
N3 C1 O4 118.329
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.908 C1 C2 H6 109.947
C1 C2 H7 109.947 C1 N3 H8 114.344
C1 O4 H9 108.015 H5 C2 H6 109.275
H5 C2 H7 109.275 H6 C2 H7 107.415

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