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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/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0377 -0.6674 0.0000   -0.0331 -0.6666 -0.0377
H2 1.3469 -0.9480 0.0000   -0.0470 -0.9468 1.3469
C3 -0.0377 0.5296 1.4223   1.4468 0.4584 -0.0377
C4 -0.0377 0.5296 -1.4223   -1.3943 0.5995 -0.0377
H5 -1.0236 0.9865 1.5053   1.5523 0.9106 -1.0236
H6 -1.0236 0.9865 -1.5053   -1.4545 1.0599 -1.0236
H7 0.1568 -0.0057 2.3508   2.3476 -0.1223 0.1568
H8 0.1568 -0.0057 -2.3508   -2.3482 0.1109 0.1568
H9 0.7030 1.3209 1.3132   1.3771 1.2542 0.7030
H10 0.7030 1.3209 -1.3132   -1.2461 1.3844 0.7030
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4128 1.8589 1.8589 2.4440 2.4440 2.4499 2.4499 2.4953 2.4953
H2 1.4128 2.4745 2.4745 3.4099 3.4099 2.7983 2.7983 2.6995 2.6995
C3 1.8589 2.4745 2.8445 1.0897 3.1227 1.0893 3.8158 1.0894 2.9424
C4 1.8589 2.4745 2.8445 3.1227 1.0897 3.8158 1.0893 2.9424 1.0894
H5 2.4440 3.4099 1.0897 3.1227 3.0105 1.7586 4.1530 1.7692 3.3222
H6 2.4440 3.4099 3.1227 1.0897 3.0105 4.1530 1.7586 3.3222 1.7692
H7 2.4499 2.7983 1.0893 3.8158 1.7586 4.1530 4.7016 1.7706 3.9349
H8 2.4499 2.7983 3.8158 1.0893 4.1530 1.7586 4.7016 3.9349 1.7706
H9 2.4953 2.6995 1.0894 2.9424 1.7692 3.3222 1.7706 3.9349 2.6264
H10 2.4953 2.6995 2.9424 1.0894 3.3222 1.7692 3.9349 1.7706 2.6264
Maximum atom distance is 4.7016Å 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 99.831
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.160 P1 C3 H7 109.616
P1 C3 H9 113.026 P1 C4 H6 109.160
P1 C4 H8 109.616 P1 C4 H10 113.026
H2 P1 C3 97.347 H2 P1 C4 97.347
H5 C3 H7 107.618 H5 C3 H9 108.557
H6 C4 H8 107.618 H6 C4 H10 108.557
H7 C3 H9 108.716 H8 C4 H10 108.716

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