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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

MP2/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0376 -0.6661 0.0000   0.0000 -0.6629 -0.0751
H2 1.3440 -0.9476 0.0000   0.0000 -1.0220 1.2883
C3 -0.0376 0.5287 1.4178   1.4178 0.5299 -0.0076
C4 -0.0376 0.5287 -1.4178   -1.4178 0.5299 -0.0076
H5 -1.0237 0.9830 1.4999   1.4999 1.0392 -0.9665
H6 -1.0237 0.9830 -1.4999   -1.4999 1.0392 -0.9665
H7 0.1569 -0.0060 2.3461   2.3461 -0.0148 0.1563
H8 0.1569 -0.0060 -2.3461   -2.3461 -0.0148 0.1563
H9 0.7018 1.3204 1.3084   1.3084 1.2786 0.7752
H10 0.7018 1.3204 -1.3084   -1.3084 1.2786 0.7752
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4100 1.8541 1.8541 2.4376 2.4376 2.4449 2.4449 2.4909 2.4909
H2 1.4100 2.4695 2.4695 3.4034 3.4034 2.7928 2.7928 2.6959 2.6959
C3 1.8541 2.4695 2.8357 1.0889 3.1132 1.0887 3.8066 1.0888 2.9335
C4 1.8541 2.4695 2.8357 3.1132 1.0889 3.8066 1.0887 2.9335 1.0888
H5 2.4376 3.4034 1.0889 3.1132 2.9999 1.7572 4.1429 1.7685 3.3132
H6 2.4376 3.4034 3.1132 1.0889 2.9999 4.1429 1.7572 3.3132 1.7685
H7 2.4449 2.7928 1.0887 3.8066 1.7572 4.1429 4.6921 1.7700 3.9257
H8 2.4449 2.7928 3.8066 1.0887 4.1429 1.7572 4.6921 3.9257 1.7700
H9 2.4909 2.6959 1.0888 2.9335 1.7685 3.3132 1.7700 3.9257 2.6168
H10 2.4909 2.6959 2.9335 1.0888 3.3132 1.7685 3.9257 1.7700 2.6168
Maximum atom distance is 4.6921Å 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 99.762
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.058 P1 C3 H7 109.608
P1 C3 H9 113.061 P1 C4 H6 109.058
P1 C4 H8 109.608 P1 C4 H10 113.061
H2 P1 C3 97.392 H2 P1 C4 97.392
H5 C3 H7 107.602 H5 C3 H9 108.610
H6 C4 H8 107.602 H6 C4 H10 108.610
H7 C3 H9 108.754 H8 C4 H10 108.754

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