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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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9810 0.9960 0.0000   -0.6210 -0.7595 0.9960
C2 0.6342 -0.0612 0.0000   0.4014 0.4909 -0.0612
C3 0.6342 -0.8889 1.2790   1.3915 -0.3187 -0.8889
C4 0.6342 -0.8889 -1.2790   -0.5887 1.3005 -0.8889
H5 1.4169 0.6968 0.0000   0.8969 1.0969 0.6968
H6 1.5620 -1.4735 1.3276   2.0165 0.3689 -1.4735
H7 1.5620 -1.4735 -1.3276   -0.0390 2.0496 -1.4735
H8 0.5769 -0.2474 2.1618   2.0387 -0.9218 -0.2474
H9 0.5769 -0.2474 -2.1618   -1.3083 1.8150 -0.2474
H10 -0.2162 -1.5768 1.2842   0.8573 -0.9802 -1.5768
H11 -0.2162 -1.5768 -1.2842   -1.1310 0.6455 -1.5768
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9304 2.7924 2.7924 2.4165 3.7853 3.7853 2.9405 2.9405 2.9755 2.9755
C2 1.9304 1.5234 1.5234 1.0896 2.1490 2.1490 2.1705 2.1705 2.1608 2.1608
C3 2.7924 1.5234 2.5579 2.1824 1.0978 2.8279 1.0927 3.5005 1.0937 2.7867
C4 2.7924 1.5234 2.5579 2.1824 2.8279 1.0978 3.5005 1.0927 2.7867 1.0937
H5 2.4165 1.0896 2.1824 2.1824 2.5483 2.5483 2.5040 2.5040 3.0798 3.0798
H6 3.7853 2.1490 1.0978 2.8279 2.5483 2.6552 1.7803 3.8275 1.7817 3.1613
H7 3.7853 2.1490 2.8279 1.0978 2.5483 2.6552 3.8275 1.7803 3.1613 1.7817
H8 2.9405 2.1705 1.0927 3.5005 2.5040 1.7803 3.8275 4.3235 1.7794 3.7776
H9 2.9405 2.1705 3.5005 1.0927 2.5040 3.8275 1.7803 4.3235 3.7776 1.7794
H10 2.9755 2.1608 1.0937 2.7867 3.0798 1.7817 3.1613 1.7794 3.7776 2.5683
H11 2.9755 2.1608 2.7867 1.0937 3.0798 3.1613 1.7817 3.7776 1.7794 2.5683
Maximum atom distance is 4.3235Å 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 107.311 Cl1 C2 C4 107.311
C3 C2 C4 114.183
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.537 C2 C3 H6 109.059
C2 C3 H8 111.058 C2 C3 H10 110.223
C2 C4 H7 109.059 C2 C4 H9 111.058
C2 C4 H11 110.223 C3 C2 H5 112.206
C4 C2 H5 112.206 H6 C3 H8 108.729
H6 C3 H10 108.782 H7 C4 H9 108.729
H7 C4 H11 108.782 H8 C3 H10 108.944
H9 C4 H11 108.944

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