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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1427 0.0000   0.1118 -0.0886 0.0000
C2 1.0113 -0.9683 0.0000   -0.1306 1.3940 0.0000
N3 0.1613 1.3803 0.0000   1.1818 -0.7311 0.0000
O4 -1.2661 -0.3755 0.0000   -1.0808 -0.7589 0.0000
H5 2.0201 -0.5819 0.0000   0.7989 1.9446 0.0000
H6 0.8581 -1.5887 0.8743   -0.7119 1.6593 0.8743
H7 0.8581 -1.5887 -0.8743   -0.7119 1.6593 -0.8743
H8 1.1124 1.7131 0.0000   2.0335 -0.1925 0.0000
H9 -1.9162 0.3420 0.0000   -0.9223 -1.7141 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5023 1.2480 1.3681 2.1462 2.1209 2.1209 1.9244 1.9265
C2 1.5023 2.4976 2.3533 1.0803 1.0829 1.0829 2.6833 3.2073
N3 1.2480 2.4976 2.2628 2.7029 3.1725 3.1725 1.0076 2.3224
O4 1.3681 2.3533 2.2628 3.2927 2.5978 2.5978 3.1653 0.9682
H5 2.1462 1.0803 2.7029 3.2927 1.7687 1.7687 2.4680 4.0433
H6 2.1209 1.0829 3.1725 2.5978 1.7687 1.7485 3.4250 3.4912
H7 2.1209 1.0829 3.1725 2.5978 1.7687 1.7485 3.4250 3.4912
H8 1.9244 2.6833 1.0076 3.1653 2.4680 3.4250 3.4250 3.3244
H9 1.9265 3.2073 2.3224 0.9682 4.0433 3.4912 3.4912 3.3244
Maximum atom distance is 4.0433Å 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 130.266 C2 C1 O4 110.053
N3 C1 O4 119.681
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.354 C1 C2 H6 109.174
C1 C2 H7 109.174 C1 N3 H8 116.712
C1 O4 H9 109.918 H5 C2 H6 109.694
H5 C2 H7 109.694 H6 C2 H7 107.673

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