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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

TPSSh/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0377 -0.6654 0.0000   -0.0349 -0.6645 -0.0377
H2 1.3580 -0.9298 0.0000   -0.0488 -0.9285 1.3580
C3 -0.0377 0.5283 1.4268   1.4526 0.4526 -0.0377
C4 -0.0377 0.5283 -1.4268   -1.3971 0.6025 -0.0377
H5 -1.0322 0.9767 1.5131   1.5623 0.8959 -1.0322
H6 -1.0322 0.9767 -1.5131   -1.4597 1.0548 -1.0322
H7 0.1613 -0.0184 2.3531   2.3489 -0.1419 0.1613
H8 0.1613 -0.0184 -2.3531   -2.3508 0.1052 0.1613
H9 0.7016 1.3273 1.3180   1.3859 1.2563 0.7016
H10 0.7016 1.3273 -1.3180   -1.2465 1.3947 0.7016
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4205 1.8603 1.8603 2.4444 2.4444 2.4485 2.4485 2.5009 2.5009
H2 1.4205 2.4718 2.4718 3.4113 3.4113 2.7928 2.7928 2.6949 2.6949
C3 1.8603 2.4718 2.8536 1.0943 3.1358 1.0938 3.8244 1.0940 2.9528
C4 1.8603 2.4718 2.8536 3.1358 1.0943 3.8244 1.0938 2.9528 1.0940
H5 2.4444 3.4113 1.0943 3.1358 3.0262 1.7664 4.1668 1.7796 3.3383
H6 2.4444 3.4113 3.1358 1.0943 3.0262 4.1668 1.7664 3.3383 1.7796
H7 2.4485 2.7928 1.0938 3.8244 1.7664 4.1668 4.7062 1.7817 3.9471
H8 2.4485 2.7928 3.8244 1.0938 4.1668 1.7664 4.7062 3.9471 1.7817
H9 2.5009 2.6949 1.0940 2.9528 1.7796 3.3383 1.7817 3.9471 2.6360
H10 2.5009 2.6949 2.9528 1.0940 3.3383 1.7796 3.9471 1.7817 2.6360
Maximum atom distance is 4.7062Å 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 100.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 108.870 P1 C3 H7 109.196
P1 C3 H9 113.102 P1 C4 H6 108.870
P1 C4 H8 109.196 P1 C4 H10 113.102
H2 P1 C3 96.858 H2 P1 C4 96.858
H5 C3 H7 107.660 H5 C3 H9 108.825
H6 C4 H8 107.660 H6 C4 H10 108.825
H7 C3 H9 109.044 H8 C4 H10 109.044

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