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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0397 -0.6980 0.0000   0.0000 -0.6950 -0.0758
H2 1.3929 -0.9188 0.0000   0.0000 -0.9895 1.3435
C3 -0.0397 0.5557 1.4567   1.4567 0.5570 -0.0110
C4 -0.0397 0.5557 -1.4567   -1.4567 0.5570 -0.0110
H5 -1.0403 0.9881 1.5408   1.5408 1.0405 -0.9878
H6 -1.0403 0.9881 -1.5408   -1.5408 1.0405 -0.9878
H7 0.1883 0.0184 2.3811   2.3811 0.0087 0.1890
H8 0.1883 0.0184 -2.3811   -2.3811 0.0087 0.1890
H9 0.6921 1.3535 1.3038   1.3038 1.3159 0.7611
H10 0.6921 1.3535 -1.3038   -1.3038 1.3159 0.7611
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4495 1.9219 1.9219 2.4936 2.4936 2.4970 2.4970 2.5385 2.5385
H2 1.4495 2.5196 2.5196 3.4540 3.4540 2.8283 2.8283 2.7118 2.7118
C3 1.9219 2.5196 2.9135 1.0932 3.1895 1.0932 3.8820 1.0934 2.9652
C4 1.9219 2.5196 2.9135 3.1895 1.0932 3.8820 1.0932 2.9652 1.0934
H5 2.4936 3.4540 1.0932 3.1895 3.0815 1.7765 4.2226 1.7863 3.3505
H6 2.4936 3.4540 3.1895 1.0932 3.0815 4.2226 1.7765 3.3505 1.7863
H7 2.4970 2.8283 1.0932 3.8820 1.7765 4.2226 4.7622 1.7880 3.9515
H8 2.4970 2.8283 3.8820 1.0932 4.2226 1.7765 4.7622 3.9515 1.7880
H9 2.5385 2.7118 1.0934 2.9652 1.7863 3.3505 1.7880 3.9515 2.6075
H10 2.5385 2.7118 2.9652 1.0934 3.3505 1.7863 3.9515 1.7880 2.6075
Maximum atom distance is 4.7622Å 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 98.567
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.437 P1 C3 H7 108.680
P1 C3 H9 111.710 P1 C4 H6 108.437
P1 C4 H8 108.680 P1 C4 H10 111.710
H2 P1 C3 95.702 H2 P1 C4 95.702
H5 C3 H7 108.680 H5 C3 H9 109.562
H6 C4 H8 108.680 H6 C4 H10 109.562
H7 C3 H9 109.710 H8 C4 H10 109.710

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