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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=

B3LYPultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1331 0.0000   0.1021 -0.0854 0.0000
C2 0.9334 -1.0496 0.0000   -0.2062 1.3893 0.0000
N3 0.2641 1.3780 0.0000   1.2264 -0.6816 0.0000
O4 -1.2962 -0.2704 0.0000   -1.0390 -0.8208 0.0000
H5 1.9773 -0.7282 0.0000   0.7100 1.9839 0.0000
H6 0.7487 -1.6724 0.8820   -0.8025 1.6473 0.8820
H7 0.7487 -1.6724 -0.8820   -0.8025 1.6473 -0.8820
H8 1.2713 1.5395 0.0000   1.9965 -0.0126 0.0000
H9 -1.8251 0.5494 0.0000   -0.7496 -1.7524 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5066 1.2726 1.3576 2.1567 2.1444 2.1444 1.8958 1.8720
C2 1.5066 2.5181 2.3618 1.0922 1.0954 1.0954 2.6110 3.1884
N3 1.2726 2.5181 2.2697 2.7150 3.2121 3.2121 1.0201 2.2475
O4 1.3576 2.3618 2.2697 3.3053 2.6316 2.6316 3.1413 0.9756
H5 2.1567 1.0922 2.7150 3.3053 1.7829 1.7829 2.3750 4.0113
H6 2.1444 1.0954 3.2121 2.6316 1.7829 1.7639 3.3716 3.5127
H7 2.1444 1.0954 3.2121 2.6316 1.7829 1.7639 3.3716 3.5127
H8 1.8958 2.6110 1.0201 3.1413 2.3750 3.3716 3.3716 3.2509
H9 1.8720 3.1884 2.2475 0.9756 4.0113 3.5127 3.5127 3.2509
Maximum atom distance is 4.0113Å 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 129.743 C2 C1 O4 110.990
N3 C1 O4 119.268
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.172 C1 C2 H6 109.992
C1 C2 H7 109.992 C1 N3 H8 111.084
C1 O4 H9 105.541 H5 C2 H6 109.175
H5 C2 H7 109.175 H6 C2 H7 107.245

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