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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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8995 1.0270 0.0000   1.3645 0.0000 -0.0448
C2 0.5759 -0.0753 0.0000   -0.4233 0.0000 0.3977
C3 0.5759 -0.9069 1.2752   -1.0665 1.2752 -0.1294
C4 0.5759 -0.9069 -1.2752   -1.0665 -1.2752 -0.1294
H5 1.4297 0.6320 0.0000   -0.4174 0.0000 1.5064
H6 1.4917 -1.5345 1.3080   -2.1324 1.3080 0.1811
H7 1.4917 -1.5345 -1.3080   -2.1324 -1.3080 0.1811
H8 0.5621 -0.2652 2.1767   -0.5614 2.1767 0.2666
H9 0.5621 -0.2652 -2.1767   -0.5614 -2.1767 0.2666
H10 -0.3059 -1.5781 1.3089   -1.0267 1.3089 -1.2369
H11 -0.3059 -1.5781 -1.3089   -1.0267 -1.3089 -1.2369
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8417 2.7465 2.7465 2.3624 3.7404 3.7404 2.9230 2.9230 2.9752 2.9752
C2 1.8417 1.5225 1.5225 1.1087 2.1631 2.1631 2.1850 2.1850 2.1793 2.1793
C3 2.7465 1.5225 2.5505 2.1733 1.1107 2.8118 1.1066 3.5111 1.1087 2.8117
C4 2.7465 1.5225 2.5505 2.1733 2.8118 1.1107 3.5111 1.1066 2.8117 1.1087
H5 2.3624 1.1087 2.1733 2.1733 2.5315 2.5315 2.5091 2.5091 3.1000 3.1000
H6 3.7404 2.1631 1.1107 2.8118 2.5315 2.6161 1.7972 3.8235 1.7981 3.1752
H7 3.7404 2.1631 2.8118 1.1107 2.5315 2.6161 3.8235 1.7972 3.1752 1.7981
H8 2.9230 2.1850 1.1066 3.5111 2.5091 1.7972 3.8235 4.3534 1.7972 3.8244
H9 2.9230 2.1850 3.5111 1.1066 2.5091 3.8235 1.7972 4.3534 3.8244 1.7972
H10 2.9752 2.1793 1.1087 2.8117 3.1000 1.7981 3.1752 1.7972 3.8244 2.6178
H11 2.9752 2.1793 2.8117 1.1087 3.1000 3.1752 1.7981 3.8244 1.7972 2.6178
Maximum atom distance is 4.3534Å 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 109.083 Cl1 C2 C4 109.083
C3 C2 C4 113.778
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.943 C2 C3 H6 109.475
C2 C3 H8 111.442 C2 C3 H10 110.862
C2 C4 H7 109.475 C2 C4 H9 111.442
C2 C4 H11 110.862 C3 C2 H5 110.394
C4 C2 H5 110.394 H6 C3 H8 108.293
H6 C3 H10 108.231 H7 C4 H9 108.293
H7 C4 H11 108.231 H8 C3 H10 108.445
H9 C4 H11 108.445

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