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Geometry for CH3CHClCH3 (Propane, 2-chloro-) 1A' CS

1910171554
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 INChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N

wB97X-D/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8842 1.0220 0.0000   1.3507 0.0000 -0.0454
C2 0.5658 -0.0682 0.0000   -0.4087 0.0000 0.3972
C3 0.5658 -0.9048 1.2685   -1.0594 1.2685 -0.1285
C4 0.5658 -0.9048 -1.2685   -1.0594 -1.2685 -0.1285
H5 1.4163 0.6163 0.0000   -0.4108 0.0000 1.4890
H6 1.4659 -1.5284 1.2905   -2.1101 1.2905 0.1797
H7 1.4659 -1.5284 -1.2905   -2.1101 -1.2905 0.1797
H8 0.5586 -0.2736 2.1593   -0.5639 2.1593 0.2625
H9 0.5586 -0.2736 -2.1593   -0.5639 -2.1593 0.2625
H10 -0.3093 -1.5599 1.2980   -1.0190 1.2980 -1.2210
H11 -0.3093 -1.5599 -1.2980   -1.0190 -1.2980 -1.2210
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8142 2.7248 2.7248 2.3360 3.7004 3.7004 2.9023 2.9023 2.9465 2.9465
C2 1.8142 1.5196 1.5196 1.0917 2.1465 2.1465 2.1691 2.1691 2.1624 2.1624
C3 2.7248 1.5196 2.5371 2.1555 1.0952 2.7835 1.0918 3.4855 1.0936 2.7896
C4 2.7248 1.5196 2.5371 2.1555 2.7835 1.0952 3.4855 1.0918 2.7896 1.0936
H5 2.3360 1.0917 2.1555 2.1555 2.5035 2.5035 2.4881 2.4881 3.0657 3.0657
H6 3.7004 2.1465 1.0952 2.7835 2.5035 2.5809 1.7756 3.7814 1.7755 3.1389
H7 3.7004 2.1465 2.7835 1.0952 2.5035 2.5809 3.7814 1.7756 3.1389 1.7755
H8 2.9023 2.1691 1.0918 3.4855 2.4881 1.7756 3.7814 4.3187 1.7747 3.7896
H9 2.9023 2.1691 3.4855 1.0918 2.4881 3.7814 1.7756 4.3187 3.7896 1.7747
H10 2.9465 2.1624 1.0936 2.7896 3.0657 1.7755 3.1389 1.7747 3.7896 2.5960
H11 2.9465 2.1624 2.7896 1.0936 3.0657 3.1389 1.7755 3.7896 1.7747 2.5960
Maximum atom distance is 4.3187Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 C3 109.321 Cl1 C2 C4 109.321
C3 C2 C4 113.191
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.734 C2 C3 H6 109.279
C2 C3 H8 111.276 C2 C3 H10 110.629
C2 C4 H7 109.279 C2 C4 H9 111.276
C2 C4 H11 110.629 C3 C2 H5 110.193
C4 C2 H5 110.193 H6 C3 H8 108.558
H6 C3 H10 108.422 H7 C4 H9 108.558
H7 C4 H11 108.422 H8 C3 H10 108.606
H9 C4 H11 108.606

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