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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

QCISD/6-31G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2490   0.0000 -0.0000 0.2490
C2 0.0000 0.0000 2.1058   0.0000 -0.0000 2.1058
Cl3 0.0000 1.9209 -0.4622   0.0000 1.9209 -0.4622
Cl4 1.6636 -0.9605 -0.4622   1.6636 -0.9605 -0.4622
Cl5 -1.6636 -0.9605 -0.4622   -1.6636 -0.9605 -0.4622
H6 0.0000 -1.0225 2.4839   0.0000 -1.0225 2.4839
H7 0.8855 0.5113 2.4839   0.8855 0.5113 2.4839
H8 -0.8855 0.5113 2.4839   -0.8855 0.5113 2.4839
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8568 2.0484 2.0484 2.0484 2.4577 2.4577 2.4577
C2 1.8568 3.2069 3.2069 3.2069 1.0902 1.0902 1.0902
Cl3 2.0484 3.2069 3.3271 3.3271 4.1646 3.3839 3.3839
Cl4 2.0484 3.2069 3.3271 3.3271 3.3839 3.3839 4.1646
Cl5 2.0484 3.2069 3.3271 3.3271 3.3839 4.1646 3.3839
H6 2.4577 1.0902 4.1646 3.3839 3.3839 1.7711 1.7711
H7 2.4577 1.0902 3.3839 3.3839 4.1646 1.7711 1.7711
H8 2.4577 1.0902 3.3839 4.1646 3.3839 1.7711 1.7711
Maximum atom distance is 4.1646Å between atoms Cl3 and H6.
picture of methyltrichlorosilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 Cl3 110.317 C2 Si1 Cl4 110.317
C2 Si1 Cl5 110.317 Cl3 Si1 Cl4 108.612
Cl3 Si1 Cl5 108.612 Cl4 Si1 Cl5 108.612
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 110.295 Si1 C2 H7 110.295
Si1 C2 H8 110.295 H6 C2 H7 108.635
H6 C2 H8 108.635 H7 C2 H8 108.635

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