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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6633 0.0000   0.0000 -0.6601 -0.0751
H2 1.3586 -0.9258 0.0000   0.0000 -1.0009 1.3043
C3 -0.0378 0.5261 1.4169   1.4169 0.5274 -0.0080
C4 -0.0378 0.5261 -1.4169   -1.4169 0.5274 -0.0080
H5 -1.0280 0.9735 1.5049   1.5049 1.0298 -0.9715
H6 -1.0280 0.9735 -1.5049   -1.5049 1.0298 -0.9715
H7 0.1599 -0.0153 2.3417   2.3417 -0.0243 0.1587
H8 0.1599 -0.0153 -2.3417   -2.3417 -0.0243 0.1587
H9 0.6986 1.3225 1.3094   1.3094 1.2810 0.7721
H10 0.6986 1.3225 -1.3094   -1.3094 1.2810 0.7721
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4208 1.8499 1.8499 2.4340 2.4340 2.4377 2.4377 2.4900 2.4900
H2 1.4208 2.4628 2.4628 3.4011 3.4011 2.7838 2.7838 2.6842 2.6842
C3 1.8499 2.4628 2.8338 1.0901 3.1173 1.0898 3.8025 1.0900 2.9341
C4 1.8499 2.4628 2.8338 3.1173 1.0901 3.8025 1.0898 2.9341 1.0900
H5 2.4340 3.4011 1.0901 3.1173 3.0098 1.7576 4.1455 1.7724 3.3201
H6 2.4340 3.4011 3.1173 1.0901 3.0098 4.1455 1.7576 3.3201 1.7724
H7 2.4377 2.7838 1.0898 3.8025 1.7576 4.1455 4.6834 1.7737 3.9256
H8 2.4377 2.7838 3.8025 1.0898 4.1455 1.7576 4.6834 3.9256 1.7737
H9 2.4900 2.6842 1.0900 2.9341 1.7724 3.3201 1.7737 3.9256 2.6187
H10 2.4900 2.6842 2.9341 1.0900 3.3201 1.7724 3.9256 1.7737 2.6187
Maximum atom distance is 4.6834Å 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 99.976
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.005 P1 C3 H7 109.300
P1 C3 H9 113.217 P1 C4 H6 109.005
P1 C4 H8 109.300 P1 C4 H10 113.217
H2 P1 C3 96.822 H2 P1 C4 96.822
H5 C3 H7 107.464 H5 C3 H9 108.775
H6 C4 H8 107.464 H6 C4 H10 108.775
H7 C3 H9 108.919 H8 C4 H10 108.919

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