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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

CISD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0393 -0.6874 0.0000   -0.0356 -0.6864 -0.0393
H2 1.3805 -0.9924 0.0000   -0.0515 -0.9911 1.3805
C3 -0.0393 0.5499 1.4663   1.4929 0.4731 -0.0393
C4 -0.0393 0.5499 -1.4663   -1.4358 0.6252 -0.0393
H5 -1.0331 1.0027 1.5428   1.5927 0.9213 -1.0331
H6 -1.0331 1.0027 -1.5428   -1.4887 1.0814 -1.0331
H7 0.1668 0.0080 2.3947   2.3919 -0.1162 0.1668
H8 0.1668 0.0080 -2.3947   -2.3910 0.1322 0.1668
H9 0.7069 1.3412 1.3381   1.4059 1.2700 0.7069
H10 0.7069 1.3412 -1.3381   -1.2667 1.4088 0.7069
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4522 1.9186 1.9186 2.4948 2.4948 2.5021 2.5021 2.5421 2.5421
H2 1.4522 2.5583 2.5583 3.4909 3.4909 2.8650 2.8650 2.7731 2.7731
C3 1.9186 2.5583 2.9327 1.0947 3.2012 1.0945 3.9043 1.0952 3.0080
C4 1.9186 2.5583 2.9327 3.2012 1.0947 3.9043 1.0945 3.0080 1.0952
H5 2.4948 3.4909 1.0947 3.2012 3.0856 1.7762 4.2347 1.7844 3.3826
H6 2.4948 3.4909 3.2012 1.0947 3.0856 4.2347 1.7762 3.3826 1.7844
H7 2.5021 2.8650 1.0945 3.9043 1.7762 4.2347 4.7893 1.7848 4.0004
H8 2.5021 2.8650 3.9043 1.0945 4.2347 1.7762 4.7893 4.0004 1.7848
H9 2.5421 2.7731 1.0952 3.0080 1.7844 3.3826 1.7848 4.0004 2.6762
H10 2.5421 2.7731 3.0080 1.0952 3.3826 1.7844 4.0004 1.7848 2.6762
Maximum atom distance is 4.7893Å 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 99.686
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.670 P1 C3 H7 109.204
P1 C3 H9 112.115 P1 C4 H6 108.670
P1 C4 H8 109.204 P1 C4 H10 112.115
H2 P1 C3 97.785 H2 P1 C4 97.785
H5 C3 H7 108.449 H5 C3 H9 109.138
H6 C4 H8 108.449 H6 C4 H10 109.138
H7 C3 H9 109.194 H8 C4 H10 109.194

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