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Geometry for C3H2O2 (Propiolic acid) 1A' CS

1910171554
InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5) INChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-N

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4948 0.0000   0.4829 -0.1082 0.0000
C2 -0.2310 -0.9436 0.0000   -0.9712 -0.0192 0.0000
C3 -0.4788 -2.1305 0.0000   -2.1837 -0.0016 0.0000
O4 1.3221 0.7795 0.0000   1.0496 1.1197 0.0000
O5 -0.8768 1.3329 0.0000   1.1090 -1.1470 0.0000
H6 -0.6884 -3.1796 0.0000   -3.2532 0.0232 0.0000
H7 1.3859 1.7561 0.0000   2.0166 0.9685 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7
C1 1.4568 2.6686 1.3524 1.2129 3.7384 1.8739
C2 1.4568 1.2125 2.3197 2.3663 2.2824 3.1468
C3 2.6686 1.2125 3.4222 3.4862 1.0699 4.3108
O4 1.3524 2.3197 3.4222 2.2675 4.4403 0.9787
O5 1.2129 2.3663 3.4862 2.2675 4.5165 2.3019
H6 3.7384 2.2824 1.0699 4.4403 4.5165 5.3539
H7 1.8739 3.1468 4.3108 0.9787 2.3019 5.3539
Maximum atom distance is 5.3539Å between atoms H6 and H7.
picture of Propiolic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 177.331 C2 C1 O4 111.275
C2 C1 O5 124.581 O4 C1 O5 124.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O4 H7 105.888 C2 C3 H6 179.505

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