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Geometry for CF3PH2 (phosphine, (trifluoromethyl)-) 1A' CS

1910171554
InChI=1S/CH2F3P/c2-1(3,4)5/h5H2 INChIKey=QQAHNNMLPUNNNJ-UHFFFAOYSA-N

B1B95/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3776 -0.0047 0.0000   0.3773 0.0000 -0.0152
P2 -1.5000 -0.1067 0.0000   -1.5023 0.0000 -0.0649
F3 0.8698 1.2374 0.0000   0.9039 0.0000 1.2127
F4 0.8698 -0.6232 1.0794   0.8521 1.0794 -0.6472
F5 0.8698 -0.6232 -1.0794   0.8521 -1.0794 -0.6472
H6 -1.6248 0.8552 -1.0301   -1.6004 -1.0301 0.9001
H7 -1.6248 0.8552 1.0301   -1.6004 1.0301 0.9001
Atom - Atom Distances (Å)
  C1 P2 F3 F4 F5 H6 H7
C1 1.8803 1.3360 1.3378 1.3378 2.4105 2.4105
P2 1.8803 2.7243 2.6547 2.6547 1.4149 1.4149
F3 1.3360 2.7243 2.1510 2.1510 2.7258 2.7258
F4 1.3378 2.6547 2.1510 2.1588 3.5859 2.9002
F5 1.3378 2.6547 2.1510 2.1588 2.9002 3.5859
H6 2.4105 1.4149 2.7258 3.5859 2.9002 2.0602
H7 2.4105 1.4149 2.7258 2.9002 3.5859 2.0602
Maximum atom distance is 3.5859Å between atoms F4 and H6.
picture of phosphine, (trifluoromethyl)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
P2 C1 F3 114.724 P2 C1 F4 110.014
P2 C1 F5 110.014 F3 C1 F4 107.115
F3 C1 F5 107.115 F4 C1 F5 107.571
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 P2 H6 92.938 C1 P2 H7 92.938
H6 P2 H7 93.448

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