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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

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8810 1.0206 0.0000   -0.5587 -0.6813 1.0206
C2 0.5639 -0.0708 0.0000   0.3576 0.4361 -0.0708
C3 0.5639 -0.9031 1.2676   1.3378 -0.3677 -0.9031
C4 0.5639 -0.9031 -1.2676   -0.6227 1.2399 -0.9031
H5 1.4051 0.6041 0.0000   0.8909 1.0865 0.6041
H6 1.4539 -1.5230 1.2906   1.9199 0.3060 -1.5230
H7 1.4539 -1.5230 -1.2906   -0.0760 1.9426 -1.5230
H8 0.5615 -0.2743 2.1470   2.0162 -0.9272 -0.2743
H9 0.5615 -0.2743 -2.1470   -1.3041 1.7956 -0.2743
H10 -0.3044 -1.5485 1.3042   0.8155 -1.0624 -1.5485
H11 -0.3044 -1.5485 -1.3042   -1.2015 0.5916 -1.5485
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8108 2.7195 2.7195 2.3237 3.6861 3.6861 2.8926 2.8926 2.9383 2.9383
C2 1.8108 1.5165 1.5165 1.0784 2.1370 2.1370 2.1566 2.1566 2.1538 2.1538
C3 2.7195 1.5165 2.5353 2.1416 1.0849 2.7786 1.0811 3.4721 1.0825 2.7902
C4 2.7195 1.5165 2.5353 2.1416 2.7786 1.0849 3.4721 1.0811 2.7902 1.0825
H5 2.3237 1.0784 2.1416 2.1416 2.4885 2.4885 2.4684 2.4684 3.0425 3.0425
H6 3.6861 2.1370 1.0849 2.7786 2.4885 2.5811 1.7576 3.7646 1.7586 3.1346
H7 3.6861 2.1370 2.7786 1.0849 2.4885 2.5811 3.7646 1.7576 3.1346 1.7586
H8 2.8926 2.1566 1.0811 3.4721 2.4684 1.7576 3.7646 4.2940 1.7560 3.7795
H9 2.8926 2.1566 3.4721 1.0811 2.4684 3.7646 1.7576 4.2940 3.7795 1.7560
H10 2.9383 2.1538 1.0825 2.7902 3.0425 1.7586 3.1346 1.7560 3.7795 2.6085
H11 2.9383 2.1538 2.7902 1.0825 3.0425 3.1346 1.7586 3.7795 1.7560 2.6085
Maximum atom distance is 4.2940Å 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 109.318 Cl1 C2 C4 109.318
C3 C2 C4 113.419
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.591 C2 C3 H6 109.347
C2 C3 H8 111.139 C2 C3 H10 110.822
C2 C4 H7 109.347 C2 C4 H9 111.139
C2 C4 H11 110.822 C3 C2 H5 110.090
C4 C2 H5 110.090 H6 C3 H8 108.484
H6 C3 H10 108.465 H7 C4 H9 108.484
H7 C4 H11 108.465 H8 C3 H10 108.512
H9 C4 H11 108.512

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