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Geometry for CH3CH2COOH (Propanoic Acid) 1A' CS

1910171554
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) INChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5704 0.0000   0.5615 -0.1005 0.0000
C2 -0.6004 -0.8079 0.0000   -0.9011 -0.4487 0.0000
C3 0.4484 -1.9154 0.0000   -1.8065 0.7788 0.0000
O4 -0.9298 1.5240 0.0000   1.3364 -1.1837 0.0000
O5 1.1518 0.8365 0.0000   1.0263 0.9864 0.0000
H6 -1.2542 -0.8714 0.8672   -1.0787 -1.0811 0.8672
H7 -1.2542 -0.8714 -0.8672   -1.0787 -1.0811 -0.8672
H8 -0.0355 -2.8880 0.0000   -2.8491 0.4738 0.0000
H9 1.0859 -1.8503 -0.8757   -1.6301 1.3949 -0.8757
H10 1.0859 -1.8503 0.8757   -1.6301 1.3949 0.8757
H11 -0.4921 2.3647 0.0000   2.2410 -0.9010 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5035 2.5260 1.3318 1.1821 2.0986 2.0986 3.4586 2.7939 2.7939 1.8605
C2 1.5035 1.5253 2.3550 2.4030 1.0879 1.0879 2.1554 2.1673 2.1673 3.1744
C3 2.5260 1.5253 3.7052 2.8404 2.1774 2.1774 1.0863 1.0852 1.0852 4.3822
O4 1.3318 2.3550 3.7052 2.1921 2.5681 2.5681 4.5017 4.0269 4.0269 0.9478
O5 1.1821 2.4030 2.8404 2.1921 3.0754 3.0754 3.9092 2.8267 2.8267 2.2445
H6 2.0986 1.0879 2.1774 2.5681 3.0754 1.7343 2.5108 3.0777 2.5367 3.4358
H7 2.0986 1.0879 2.1774 2.5681 3.0754 1.7343 2.5108 2.5367 3.0777 3.4358
H8 3.4586 2.1554 1.0863 4.5017 3.9092 2.5108 2.5108 1.7610 1.7610 5.2724
H9 2.7939 2.1673 1.0852 4.0269 2.8267 3.0777 2.5367 1.7610 1.7515 4.5851
H10 2.7939 2.1673 1.0852 4.0269 2.8267 2.5367 3.0777 1.7610 1.7515 4.5851
H11 1.8605 3.1744 4.3822 0.9478 2.2445 3.4358 3.4358 5.2724 4.5851 4.5851
Maximum atom distance is 5.2724Å between atoms H8 and H11.
picture of Propanoic Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 113.019 C2 C1 O4 112.184
C2 C1 O5 126.547 O4 C1 O5 121.269
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.068 C1 C2 H7 107.068
C1 O4 H11 108.223 C2 C3 H8 110.105
C2 C3 H9 111.125 C2 C3 H10 111.125
C3 C2 H6 111.771 C3 C2 H7 111.771
H6 C2 H7 105.712 H8 C3 H9 108.385
H8 C3 H10 108.385 H9 C3 H10 107.612

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