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Geometry for CH3PHCH3 (dimethylphosphine) 1A' CS

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

BLYP/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 -0.0390 -0.6803 0.0000   0.0000 -0.6773 -0.0751
H2 1.3798 -0.9006 0.0000   0.0000 -0.9726 1.3300
C3 -0.0390 0.5381 1.4420   1.4420 0.5394 -0.0103
C4 -0.0390 0.5381 -1.4420   -1.4420 0.5394 -0.0103
H5 -1.0456 0.9778 1.5435   1.5435 1.0319 -0.9922
H6 -1.0456 0.9778 -1.5435   -1.5435 1.0319 -0.9922
H7 0.1882 -0.0053 2.3746   2.3746 -0.0153 0.1877
H8 0.1882 -0.0053 -2.3746   -2.3746 -0.0153 0.1877
H9 0.6939 1.3517 1.3124   1.3124 1.3129 0.7647
H10 0.6939 1.3517 -1.3124   -1.3124 1.3129 0.7647
Atom - Atom Distances (Å)
  P1 H2 C3 C4 H5 H6 H7 H8 H9 H10
P1 1.4358 1.8878 1.8878 2.4789 2.4789 2.4791 2.4791 2.5275 2.5275
H2 1.4358 2.4823 2.4823 3.4341 3.4341 2.8036 2.8036 2.6954 2.6954
C3 1.8878 2.4823 2.8839 1.1032 3.1811 1.1031 3.8618 1.1027 2.9640
C4 1.8878 2.4823 2.8839 3.1811 1.1032 3.8618 1.1031 2.9640 1.1027
H5 2.4789 3.4341 1.1032 3.1811 3.0870 1.7832 4.2238 1.7942 3.3648
H6 2.4789 3.4341 3.1811 1.1032 3.0870 4.2238 1.7832 3.3648 1.7942
H7 2.4791 2.8036 1.1031 3.8618 1.7832 4.2238 4.7493 1.7960 3.9612
H8 2.4791 2.8036 3.8618 1.1031 4.2238 1.7832 4.7493 3.9612 1.7960
H9 2.5275 2.6954 1.1027 2.9640 1.7942 3.3648 1.7960 3.9612 2.6248
H10 2.5275 2.6954 2.9640 1.1027 3.3648 1.7942 3.9612 1.7960 2.6248
Maximum atom distance is 4.7493Å 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 99.608
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P1 C3 H5 109.121 P1 C3 H7 109.142
P1 C3 H9 112.735 P1 C4 H6 109.121
P1 C4 H8 109.142 P1 C4 H10 112.735
H2 P1 C3 95.682 H2 P1 C4 95.682
H5 C3 H7 107.847 H5 C3 H9 108.858
H6 C4 H8 107.847 H6 C4 H10 108.858
H7 C3 H9 109.021 H8 C4 H10 109.021

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