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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=

B3LYP/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1309 0.0000   0.0924 -0.0927 0.0000
C2 1.0546 -0.9513 0.0000   -1.4184 -0.0708 0.0000
N3 0.1155 1.4165 0.0000   0.9182 -1.0848 0.0000
O4 -1.2754 -0.4204 0.0000   0.6065 1.1981 0.0000
H5 2.0606 -0.5219 0.0000   -1.8279 -1.0850 0.0000
H6 0.9334 -1.5882 0.8839   -1.7823 0.4660 0.8839
H7 0.9334 -1.5882 -0.8839   -1.7823 0.4660 -0.8839
H8 1.0808 1.7629 0.0000   0.4791 -2.0116 0.0000
H9 -1.9408 0.3047 0.0000   1.5896 1.1543 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5110 1.2908 1.3894 2.1615 2.1466 2.1466 1.9574 1.9485
C2 1.5110 2.5472 2.3896 1.0938 1.0962 1.0962 2.7143 3.2480
N3 1.2908 2.5472 2.3041 2.7461 3.2371 3.2371 1.0256 2.3376
O4 1.3894 2.3896 2.3041 3.3375 2.6502 2.6502 3.2122 0.9841
H5 2.1615 1.0938 2.7461 3.3375 1.7857 1.7857 2.4860 4.0858
H6 2.1466 1.0962 3.2371 2.6502 1.7857 1.7678 3.4689 3.5532
H7 2.1466 1.0962 3.2371 2.6502 1.7857 1.7678 3.4689 3.5532
H8 1.9574 2.7143 1.0256 3.2122 2.4860 3.4689 3.4689 3.3550
H9 1.9485 3.2480 2.3376 0.9841 4.0858 3.5532 3.5532 3.3550
Maximum atom distance is 4.0858Å 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 130.609 C2 C1 O4 110.880
N3 C1 O4 118.511
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.148 C1 C2 H6 109.816
C1 C2 H7 109.816 C1 N3 H8 114.870
C1 O4 H9 109.164 H5 C2 H6 109.254
H5 C2 H7 109.254 H6 C2 H7 107.474

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