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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

HF/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3372   0.0000 0.3372 0.0000
Cl2 1.4524 0.0000 -0.7168   1.4524 -0.7168 0.0000
Cl3 -1.4524 0.0000 -0.7168   -1.4524 -0.7168 0.0000
C4 0.0000 1.2665 1.1723   0.0000 1.1723 1.2665
C5 0.0000 -1.2665 1.1723   0.0000 1.1723 -1.2665
H6 0.0000 2.1418 0.5410   0.0000 0.5410 2.1418
H7 0.0000 -2.1418 0.5410   0.0000 0.5410 -2.1418
H8 -0.8816 1.2841 1.7993   -0.8816 1.7993 1.2841
H9 0.8816 1.2841 1.7993   0.8816 1.7993 1.2841
H10 0.8816 -1.2841 1.7993   0.8816 1.7993 -1.2841
H11 -0.8816 -1.2841 1.7993   -0.8816 1.7993 -1.2841
Atom - Atom Distances (Å)
  C1 Cl2 Cl3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.7945 1.7945 1.5170 1.5170 2.1515 2.1515 2.1363 2.1363 2.1363 2.1363
Cl2 1.7945 2.9047 2.6985 2.6985 2.8773 2.8773 3.6643 2.8819 2.8819 3.6643
Cl3 1.7945 2.9047 2.6985 2.6985 2.8773 2.8773 2.8819 3.6643 3.6643 2.8819
C4 1.5170 2.6985 2.6985 2.5330 1.0793 3.4663 1.0820 1.0820 2.7705 2.7705
C5 1.5170 2.6985 2.6985 2.5330 3.4663 1.0793 2.7705 2.7705 1.0820 1.0820
H6 2.1515 2.8773 2.8773 1.0793 3.4663 4.2836 1.7596 1.7596 3.7546 3.7546
H7 2.1515 2.8773 2.8773 3.4663 1.0793 4.2836 3.7546 3.7546 1.7596 1.7596
H8 2.1363 3.6643 2.8819 1.0820 2.7705 1.7596 3.7546 1.7632 3.1152 2.5682
H9 2.1363 2.8819 3.6643 1.0820 2.7705 1.7596 3.7546 1.7632 2.5682 3.1152
H10 2.1363 2.8819 3.6643 2.7705 1.0820 3.7546 1.7596 3.1152 2.5682 1.7632
H11 2.1363 3.6643 2.8819 2.7705 1.0820 3.7546 1.7596 2.5682 3.1152 1.7632
Maximum atom distance is 4.2836Å 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 108.061 Cl2 C1 C4 108.864
Cl2 C1 C5 108.864 Cl3 C1 C4 108.864
Cl3 C1 C5 108.864 C4 C1 C5 113.200
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H6 110.796 C1 C4 H8 109.425
C1 C4 H9 109.425 C1 C5 H7 110.796
C1 C5 H10 109.425 C1 C5 H11 109.425
H6 C4 H8 109.015 H6 C4 H9 109.015
H7 C5 H10 109.015 H7 C5 H11 109.015
H8 C4 H9 109.139 H10 C5 H11 109.139

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