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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

1910171554
InChI=1S/C2H7P/c1-3-2/h3H,1-2H3 INChIKey=YOTZYFSGUCFUKA-UHFFFAOYSA-N

MP2/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6673 0.0000   0.0000 -0.6642 -0.0749
H2 1.3499 -0.9317 0.0000   0.0000 -1.0053 1.2960
C3 -0.0378 0.5286 1.4127   1.4127 0.5299 -0.0083
C4 -0.0378 0.5286 -1.4127   -1.4127 0.5299 -0.0083
H5 -1.0288 0.9824 1.4981   1.4981 1.0381 -0.9726
H6 -1.0288 0.9824 -1.4981   -1.4981 1.0381 -0.9726
H7 0.1605 -0.0067 2.3449   2.3449 -0.0156 0.1599
H8 0.1605 -0.0067 -2.3449   -2.3449 -0.0156 0.1599
H9 0.7038 1.3234 1.2986   1.2986 1.2822 0.7764
H10 0.7038 1.3234 -1.2986   -1.2986 1.2822 0.7764
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4127 1.8509 1.8509 2.4389 2.4389 2.4443 2.4443 2.4899 2.4899
H2 1.4127 2.4605 2.4605 3.4010 3.4010 2.7873 2.7873 2.6813 2.6813
C3 1.8509 2.4605 2.8254 1.0933 3.1082 1.0931 3.8007 1.0931 2.9211
C4 1.8509 2.4605 2.8254 3.1082 1.0933 3.8007 1.0931 2.9211 1.0931
H5 2.4389 3.4010 1.0933 3.1082 2.9963 1.7635 4.1427 1.7772 3.3076
H6 2.4389 3.4010 3.1082 1.0933 2.9963 4.1427 1.7635 3.3076 1.7772
H7 2.4443 2.7873 1.0931 3.8007 1.7635 4.1427 4.6899 1.7774 3.9166
H8 2.4443 2.7873 3.8007 1.0931 4.1427 1.7635 4.6899 3.9166 1.7774
H9 2.4899 2.6813 1.0931 2.9211 1.7772 3.3076 1.7774 3.9166 2.5972
H10 2.4899 2.6813 2.9211 1.0931 3.3076 1.7772 3.9166 1.7774 2.5972
Maximum atom distance is 4.6899Å between atoms H7 and H8.
picture of dimethylphosphine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 P1 C4 99.499
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.136 P1 C3 H7 109.543
P1 C3 H9 112.965 P1 C4 H6 109.136
P1 C4 H8 109.543 P1 C4 H10 112.965
H2 P1 C3 96.944 H2 P1 C4 96.944
H5 C3 H7 107.521 H5 C3 H9 108.746
H6 C4 H8 107.521 H6 C4 H10 108.746
H7 C3 H9 108.781 H8 C4 H10 108.781

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