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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=

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1330 0.0000   -0.0927 0.0953 0.0000
C2 1.1085 -0.9162 0.0000   1.4334 0.1160 0.0000
N3 0.0491 1.4413 0.0000   -0.9697 1.0675 0.0000
O4 -1.2691 -0.4856 0.0000   -0.5712 -1.2329 0.0000
H5 2.0985 -0.4331 0.0000   1.8063 1.1526 0.0000
H6 1.0126 -1.5561 0.8926   1.8108 -0.4095 0.8926
H7 1.0126 -1.5561 -0.8926   1.8108 -0.4095 -0.8926
H8 1.0054 1.8293 0.0000   -0.5546 2.0124 0.0000
H9 -1.9714 0.2105 0.0000   -1.5600 -1.2235 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5262 1.3093 1.4118 2.1735 2.1622 2.1622 1.9719 1.9729
C2 1.5262 2.5846 2.4162 1.1016 1.1025 1.1025 2.7474 3.2795
N3 1.3093 2.5846 2.3347 2.7773 3.2725 3.2725 1.0320 2.3659
O4 1.4118 2.4162 2.3347 3.3679 2.6737 2.6737 3.2453 0.9888
H5 2.1735 1.1016 2.7773 3.3679 1.7991 1.7991 2.5126 4.1204
H6 2.1622 1.1025 3.2725 2.6737 1.7991 1.7852 3.5011 3.5807
H7 2.1622 1.1025 3.2725 2.6737 1.7991 1.7852 3.5011 3.5807
H8 1.9719 2.7474 1.0320 3.2453 2.5126 3.5011 3.5011 3.3885
H9 1.9729 3.2795 2.3659 0.9888 4.1204 3.5807 3.5807 3.3885
Maximum atom distance is 4.1204Å 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 131.273 C2 C1 O4 110.590
N3 C1 O4 118.136
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.566 C1 C2 H6 109.624
C1 C2 H7 109.624 C1 N3 H8 114.234
C1 O4 H9 109.270 H5 C2 H6 109.430
H5 C2 H7 109.430 H6 C2 H7 108.126

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