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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

CCD/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0378 -0.6684 0.0000   -0.0351 -0.6674 -0.0378
H2 1.3467 -0.9474 0.0000   -0.0497 -0.9461 1.3467
C3 -0.0378 0.5301 1.4207   1.4466 0.4547 -0.0378
C4 -0.0378 0.5301 -1.4207   -1.3909 0.6039 -0.0378
H5 -1.0223 0.9923 1.4989   1.5489 0.9122 -1.0223
H6 -1.0223 0.9923 -1.4989   -1.4447 1.0696 -1.0223
H7 0.1507 -0.0033 2.3525   2.3491 -0.1268 0.1507
H8 0.1507 -0.0033 -2.3525   -2.3494 0.1202 0.1507
H9 0.7088 1.3171 1.3113   1.3786 1.2464 0.7088
H10 0.7088 1.3171 -1.3113   -1.2403 1.3841 0.7088
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4124 1.8587 1.8587 2.4441 2.4441 2.4520 2.4520 2.4938 2.4938
H2 1.4124 2.4735 2.4735 3.4090 3.4090 2.8029 2.8029 2.6934 2.6934
C3 1.8587 2.4735 2.8415 1.0904 3.1156 1.0900 3.8154 1.0903 2.9395
C4 1.8587 2.4735 2.8415 3.1156 1.0904 3.8154 1.0900 2.9395 1.0903
H5 2.4441 3.4090 1.0904 3.1156 2.9977 1.7595 4.1473 1.7713 3.3165
H6 2.4441 3.4090 3.1156 1.0904 2.9977 4.1473 1.7595 3.3165 1.7713
H7 2.4520 2.8029 1.0900 3.8154 1.7595 4.1473 4.7050 1.7717 3.9342
H8 2.4520 2.8029 3.8154 1.0900 4.1473 1.7595 4.7050 3.9342 1.7717
H9 2.4938 2.6934 1.0903 2.9395 1.7713 3.3165 1.7717 3.9342 2.6225
H10 2.4938 2.6934 2.9395 1.0903 3.3165 1.7713 3.9342 1.7717 2.6225
Maximum atom distance is 4.7050Å 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 99.702
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.152 P1 C3 H7 109.751
P1 C3 H9 112.873 P1 C4 H6 109.152
P1 C4 H8 109.751 P1 C4 H10 112.873
H2 P1 C3 97.318 H2 P1 C4 97.318
H5 C3 H7 107.593 H5 C3 H9 108.632
H6 C4 H8 107.593 H6 C4 H10 108.632
H7 C3 H9 108.698 H8 C4 H10 108.698

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