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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

CID/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9654 1.0075 0.0000   -0.6054 -0.7519 1.0075
C2 0.6234 -0.0620 0.0000   0.3909 0.4855 -0.0620
C3 0.6234 -0.8984 1.2798   1.3878 -0.3171 -0.8984
C4 0.6234 -0.8984 -1.2798   -0.6059 1.2881 -0.8984
H5 1.4215 0.6754 0.0000   0.8915 1.1072 0.6754
H6 1.5411 -1.4943 1.3176   1.9928 0.3740 -1.4943
H7 1.5411 -1.4943 -1.3176   -0.0598 2.0267 -1.4943
H8 0.5798 -0.2598 2.1630   2.0484 -0.9050 -0.2598
H9 0.5798 -0.2598 -2.1630   -1.3212 1.8081 -0.2598
H10 -0.2363 -1.5713 1.2869   0.8541 -0.9912 -1.5713
H11 -0.2363 -1.5713 -1.2869   -1.1506 0.6230 -1.5713
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9152 2.7919 2.7919 2.4099 3.7785 3.7785 2.9448 2.9448 2.9729 2.9729
C2 1.9152 1.5289 1.5289 1.0867 2.1517 2.1517 2.1725 2.1725 2.1617 2.1617
C3 2.7919 1.5289 2.5596 2.1799 1.0948 2.8185 1.0908 3.5018 1.0917 2.7892
C4 2.7919 1.5289 2.5596 2.1799 2.8185 1.0948 3.5018 1.0908 2.7892 1.0917
H5 2.4099 1.0867 2.1799 2.1799 2.5412 2.5412 2.5024 2.5024 3.0745 3.0745
H6 3.7785 2.1517 1.0948 2.8185 2.5412 2.6352 1.7785 3.8161 1.7793 3.1541
H7 3.7785 2.1517 2.8185 1.0948 2.5412 2.6352 3.8161 1.7785 3.1541 1.7793
H8 2.9448 2.1725 1.0908 3.5018 2.5024 1.7785 3.8161 4.3261 1.7759 3.7800
H9 2.9448 2.1725 3.5018 1.0908 2.5024 3.8161 1.7785 4.3261 3.7800 1.7759
H10 2.9729 2.1617 1.0917 2.7892 3.0745 1.7793 3.1541 1.7759 3.7800 2.5738
H11 2.9729 2.1617 2.7892 1.0917 3.0745 3.1541 1.7793 3.7800 1.7759 2.5738
Maximum atom distance is 4.3261Å 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 107.790 Cl1 C2 C4 107.790
C3 C2 C4 113.664
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.383 C2 C3 H6 109.066
C2 C3 H8 110.943 C2 C3 H10 110.038
C2 C4 H7 109.066 C2 C4 H9 110.943
C2 C4 H11 110.038 C3 C2 H5 111.793
C4 C2 H5 111.793 H6 C3 H8 108.916
H6 C3 H10 108.931 H7 C4 H9 108.916
H7 C4 H11 108.931 H8 C3 H10 108.912
H9 C4 H11 108.912

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