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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

HF/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0377 -0.6593 0.0000   -0.0362 -0.6583 -0.0377
H2 1.3485 -0.9654 0.0000   -0.0529 -0.9639 1.3485
C3 -0.0377 0.5257 1.4339   1.4605 0.4463 -0.0377
C4 -0.0377 0.5257 -1.4339   -1.4029 0.6035 -0.0377
H5 -1.0233 0.9901 1.5115   1.5635 0.9057 -1.0233
H6 -1.0233 0.9901 -1.5115   -1.4549 1.0715 -1.0233
H7 0.1425 -0.0274 2.3577   2.3526 -0.1567 0.1425
H8 0.1425 -0.0274 -2.3577   -2.3557 0.1019 0.1425
H9 0.7152 1.3103 1.3378   1.4077 1.2349 0.7152
H10 0.7152 1.3103 -1.3378   -1.2640 1.3817 0.7152
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4196 1.8601 1.8601 2.4446 2.4446 2.4475 2.4475 2.4972 2.4972
H2 1.4196 2.4901 2.4901 3.4254 3.4254 2.8094 2.8094 2.7147 2.7147
C3 1.8601 2.4901 2.8677 1.0923 3.1404 1.0918 3.8359 1.0916 2.9774
C4 1.8601 2.4901 2.8677 3.1404 1.0923 3.8359 1.0918 2.9774 1.0916
H5 2.4446 3.4254 1.0923 3.1404 3.0230 1.7637 4.1671 1.7762 3.3531
H6 2.4446 3.4254 3.1404 1.0923 3.0230 4.1671 1.7637 3.3531 1.7762
H7 2.4475 2.8094 1.0918 3.8359 1.7637 4.1671 4.7154 1.7769 3.9717
H8 2.4475 2.8094 3.8359 1.0918 4.1671 1.7637 4.7154 3.9717 1.7769
H9 2.4972 2.7147 1.0916 2.9774 1.7762 3.3531 1.7769 3.9717 2.6757
H10 2.4972 2.7147 2.9774 1.0916 3.3531 1.7762 3.9717 1.7769 2.6757
Maximum atom distance is 4.7154Å 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 100.857
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.001 P1 C3 H7 109.239
P1 C3 H9 112.958 P1 C4 H6 109.001
P1 C4 H8 109.239 P1 C4 H10 112.958
H2 P1 C3 97.895 H2 P1 C4 97.895
H5 C3 H7 107.711 H5 C3 H9 108.848
H6 C4 H8 107.711 H6 C4 H10 108.848
H7 C3 H9 108.949 H8 C4 H10 108.949

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