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Geometry for CH3CCl2CH3 (Propane, 2,2-dichloro-) 1A1 C2V

1910171554
InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3 INChIKey=ZEOVXNVKXIPWMS-UHFFFAOYSA-N

CBS-Q


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3360   0.0000 0.3360 0.0000
Cl2 1.4590 0.0000 -0.7185   1.4590 -0.7185 0.0000
Cl3 -1.4590 0.0000 -0.7185   -1.4590 -0.7185 0.0000
C4 0.0000 1.2705 1.1754   0.0000 1.1754 1.2705
C5 0.0000 -1.2705 1.1754   0.0000 1.1754 -1.2705
H6 0.0000 2.1510 0.5436   0.0000 0.5436 2.1510
H7 0.0000 -2.1510 0.5436   0.0000 0.5436 -2.1510
H8 -0.8846 1.2880 1.8055   -0.8846 1.8055 1.2880
H9 0.8846 1.2880 1.8055   0.8846 1.8055 1.2880
H10 0.8846 -1.2880 1.8055   0.8846 1.8055 -1.2880
H11 -0.8846 -1.2880 1.8055   -0.8846 1.8055 -1.2880
Atom - Atom Distances (Å)
  C1 Cl2 Cl3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.8002 1.8002 1.5227 1.5227 2.1610 2.1610 2.1449 2.1449 2.1449 2.1449
Cl2 1.8002 2.9180 2.7073 2.7073 2.8894 2.8894 3.6772 2.8912 2.8912 3.6772
Cl3 1.8002 2.9180 2.7073 2.7073 2.8894 2.8894 2.8912 3.6772 3.6772 2.8912
C4 1.5227 2.7073 2.7073 2.5410 1.0837 3.4794 1.0862 1.0862 2.7794 2.7794
C5 1.5227 2.7073 2.7073 2.5410 3.4794 1.0837 2.7794 2.7794 1.0862 1.0862
H6 2.1610 2.8894 2.8894 1.0837 3.4794 4.3021 1.7663 1.7663 3.7685 3.7685
H7 2.1610 2.8894 2.8894 3.4794 1.0837 4.3021 3.7685 3.7685 1.7663 1.7663
H8 2.1449 3.6772 2.8912 1.0862 2.7794 1.7663 3.7685 1.7692 3.1249 2.5759
H9 2.1449 2.8912 3.6772 1.0862 2.7794 1.7663 3.7685 1.7692 2.5759 3.1249
H10 2.1449 2.8912 3.6772 2.7794 1.0862 3.7685 1.7663 3.1249 2.5759 1.7692
H11 2.1449 3.6772 2.8912 2.7794 1.0862 3.7685 1.7663 2.5759 3.1249 1.7692
Maximum atom distance is 4.3021Å between atoms H6 and H7.
picture of Propane, 2,2-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 Cl3 108.283 Cl2 C1 C4 108.838
Cl2 C1 C5 108.838 Cl3 C1 C4 108.838
Cl3 C1 C5 108.838 C4 C1 C5 113.099
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H6 110.891 C1 C4 H8 109.462
C1 C4 H9 109.462 C1 C5 H7 110.891
C1 C5 H10 109.462 C1 C5 H11 109.462
H6 C4 H8 108.972 H6 C4 H9 108.972
H7 C5 H10 108.972 H7 C5 H11 108.972
H8 C4 H9 109.052 H10 C5 H11 109.052

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