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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

1910171554
InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3 INChIKey=JLUFWMXJHAVVNN-UHFFFAOYSA-N

MP2/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2576   0.0000 0.0000 0.2576
C2 0.0000 0.0000 2.1008   0.0000 0.0000 2.1008
Cl3 0.0000 1.9116 -0.4634   0.0000 1.9116 -0.4634
Cl4 1.6555 -0.9558 -0.4634   1.6555 -0.9558 -0.4634
Cl5 -1.6555 -0.9558 -0.4634   -1.6555 -0.9558 -0.4634
H6 0.0000 -1.0250 2.4745   0.0000 -1.0250 2.4745
H7 0.8877 0.5125 2.4745   0.8877 0.5125 2.4745
H8 -0.8877 0.5125 2.4745   -0.8877 0.5125 2.4745
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8433 2.0431 2.0431 2.0431 2.4424 2.4424 2.4424
C2 1.8433 3.1984 3.1984 3.1984 1.0910 1.0910 1.0910
Cl3 2.0431 3.1984 3.3110 3.3110 4.1540 3.3730 3.3730
Cl4 2.0431 3.1984 3.3110 3.3110 3.3730 3.3730 4.1540
Cl5 2.0431 3.1984 3.3110 3.3110 3.3730 4.1540 3.3730
H6 2.4424 1.0910 4.1540 3.3730 3.3730 1.7754 1.7754
H7 2.4424 1.0910 3.3730 3.3730 4.1540 1.7754 1.7754
H8 2.4424 1.0910 3.3730 4.1540 3.3730 1.7754 1.7754
Maximum atom distance is 4.1540Å between atoms Cl4 and H8.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.666 C2 Si1 Cl4 110.666
C2 Si1 Cl5 110.666 Cl3 Si1 Cl4 108.251
Cl3 Si1 Cl5 108.251 Cl4 Si1 Cl5 108.251
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.030 Si1 C2 H7 110.030
Si1 C2 H8 110.030 H6 C2 H7 108.907
H6 C2 H8 108.907 H7 C2 H8 108.907

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