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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

CCSD=FULL/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0381 -0.6762 0.0000   0.0000 -0.6731 -0.0754
H2 1.3668 -0.9354 0.0000   0.0000 -1.0095 1.3130
C3 -0.0381 0.5352 1.4238   1.4238 0.5364 -0.0084
C4 -0.0381 0.5352 -1.4238   -1.4238 0.5364 -0.0084
H5 -1.0376 0.9980 1.4989   1.4989 1.0538 -0.9809
H6 -1.0376 0.9980 -1.4989   -1.4989 1.0538 -0.9809
H7 0.1537 -0.0039 2.3673   2.3673 -0.0124 0.1532
H8 0.1537 -0.0039 -2.3673   -2.3673 -0.0124 0.1532
H9 0.7144 1.3341 1.3079   1.3079 1.2926 0.7870
H10 0.7144 1.3341 -1.3079   -1.3079 1.2926 0.7870
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4285 1.8694 1.8694 2.4594 2.4594 2.4684 2.4684 2.5136 2.5136
H2 1.4285 2.4826 2.4826 3.4302 3.4302 2.8184 2.8184 2.6994 2.6994
C3 1.8694 2.4826 2.8475 1.1041 3.1233 1.1035 3.8340 1.1036 2.9439
C4 1.8694 2.4826 2.8475 3.1233 1.1041 3.8340 1.1035 2.9439 1.1036
H5 2.4594 3.4302 1.1041 3.1233 2.9978 1.7825 4.1678 1.7942 3.3258
H6 2.4594 3.4302 3.1233 1.1041 2.9978 4.1678 1.7825 3.3258 1.7942
H7 2.4684 2.8184 1.1035 3.8340 1.7825 4.1678 4.7346 1.7964 3.9512
H8 2.4684 2.8184 3.8340 1.1035 4.1678 1.7825 4.7346 3.9512 1.7964
H9 2.5136 2.6994 1.1036 2.9439 1.7942 3.3258 1.7964 3.9512 2.6158
H10 2.5136 2.6994 2.9439 1.1036 3.3258 1.7942 3.9512 1.7964 2.6158
Maximum atom distance is 4.7346Å 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 99.216
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.874 P1 C3 H7 109.553
P1 C3 H9 112.904 P1 C4 H6 108.874
P1 C4 H8 109.553 P1 C4 H10 112.904
H2 P1 C3 96.752 H2 P1 C4 96.752
H5 C3 H7 107.693 H5 C3 H9 108.719
H6 C4 H8 107.693 H6 C4 H10 108.719
H7 C3 H9 108.963 H8 C4 H10 108.963

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