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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=

B3PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1322 0.0000   0.1016 -0.0845 0.0000
C2 0.9294 -1.0438 0.0000   -0.2081 1.3821 0.0000
N3 0.2621 1.3717 0.0000   1.2222 -0.6757 0.0000
O4 -1.2891 -0.2693 0.0000   -1.0314 -0.8188 0.0000
H5 1.9729 -0.7286 0.0000   0.7015 1.9827 0.0000
H6 0.7433 -1.6658 0.8794   -0.8053 1.6367 0.8794
H7 0.7433 -1.6658 -0.8794   -0.8053 1.6367 -0.8794
H8 1.2630 1.5439 0.0000   1.9947 -0.0164 0.0000
H9 -1.8211 0.5389 0.0000   -0.7503 -1.7447 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.4989 1.2670 1.3501 2.1525 2.1350 2.1350 1.8943 1.8660
C2 1.4989 2.5060 2.3498 1.0900 1.0931 1.0931 2.6092 3.1734
N3 1.2670 2.5060 2.2581 2.7089 3.1986 3.1986 1.0157 2.2435
O4 1.3501 2.3498 2.2581 3.2941 2.6180 2.6180 3.1307 0.9676
H5 2.1525 1.0900 2.7089 3.2941 1.7786 1.7786 2.3808 4.0001
H6 2.1350 1.0931 3.1986 2.6180 1.7786 1.7589 3.3683 3.4943
H7 2.1350 1.0931 3.1986 2.6180 1.7786 1.7589 3.3683 3.4943
H8 1.8943 2.6092 1.0157 3.1307 2.3808 3.3683 3.3683 3.2438
H9 1.8660 3.1734 2.2435 0.9676 4.0001 3.4943 3.4943 3.2438
Maximum atom distance is 4.0001Å 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 129.741 C2 C1 O4 111.022
N3 C1 O4 119.237
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.511 C1 C2 H6 109.925
C1 C2 H7 109.925 C1 N3 H8 111.702
C1 O4 H9 106.060 H5 C2 H6 109.120
H5 C2 H7 109.120 H6 C2 H7 107.132

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