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Geometry for CH3CHNOH (Acetaldoxime) 1A' CS cis

1910171554
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2- INChIKey=FZENGILVLUJGJX-IHWYPQMZSA-N

CID/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.4474 0.4737 0.0000   1.4293 0.5256 0.0000
C2 0.0000 0.8535 0.0000   0.5291 -0.6697 0.0000
N3 1.0071 0.0890 0.0000   -0.7351 -0.6941 0.0000
O4 0.6656 -1.2474 0.0000   -1.2956 0.5662 0.0000
H5 1.5035 -1.6924 0.0000   -2.2289 0.3958 0.0000
H6 -1.5760 -0.6008 0.0000   0.8642 1.4484 0.0000
H7 -1.9398 0.8916 0.8769   2.0749 0.5030 0.8769
H8 -1.9398 0.8916 -0.8769   2.0749 0.5030 -0.8769
H9 0.2617 1.9039 0.0000   0.9749 -1.6562 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.4964 2.4844 2.7253 3.6605 1.0821 1.0891 1.0891 2.2286
C2 1.4964 1.2644 2.2039 2.9567 2.1445 2.1292 2.1292 1.0826
N3 2.4844 1.2644 1.3793 1.8492 2.6736 3.1777 3.1777 1.9620
O4 2.7253 2.2039 1.3793 0.9487 2.3331 3.4833 3.4833 3.1771
H5 3.6605 2.9567 1.8492 0.9487 3.2673 4.3935 4.3935 3.8046
H6 1.0821 2.1445 2.6736 2.3331 3.2673 1.7688 1.7688 3.1066
H7 1.0891 2.1292 3.1777 3.4833 4.3935 1.7688 1.7538 2.5769
H8 1.0891 2.1292 3.1777 3.4833 4.3935 1.7688 1.7538 2.5769
H9 2.2286 1.0826 1.9620 3.1771 3.8046 3.1066 2.5769 2.5769
Maximum atom distance is 4.3935Å between atoms H5 and H7.
picture of Acetaldoxime
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 128.093 C2 N3 O4 112.872
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 118.694 C2 C1 H6 111.530
C2 C1 H7 109.874 C2 C1 H8 109.874
N3 C2 H9 113.213 N3 O4 H5 103.637
H6 C1 H7 109.104 H6 C1 H8 109.104
H7 C1 H8 107.251

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