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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

B3PW91/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2785   0.0000 0.0000 0.2785
C2 0.0000 0.0000 2.1521   0.0000 0.0000 2.1521
Cl3 0.0000 2.0118 -0.4780   0.0000 2.0118 -0.4780
Cl4 1.7423 -1.0059 -0.4780   1.7423 -1.0059 -0.4780
Cl5 -1.7423 -1.0059 -0.4780   -1.7423 -1.0059 -0.4780
H6 0.0000 -1.0316 2.5214   0.0000 -1.0316 2.5214
H7 0.8934 0.5158 2.5214   0.8934 0.5158 2.5214
H8 -0.8934 0.5158 2.5214   -0.8934 0.5158 2.5214
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8736 2.1493 2.1493 2.1493 2.4688 2.4688 2.4688
C2 1.8736 3.3113 3.3113 3.3113 1.0957 1.0957 1.0957
Cl3 2.1493 3.3113 3.4845 3.4845 4.2730 3.4688 3.4688
Cl4 2.1493 3.3113 3.4845 3.4845 3.4688 3.4688 4.2730
Cl5 2.1493 3.3113 3.4845 3.4845 3.4688 4.2730 3.4688
H6 2.4688 1.0957 4.2730 3.4688 3.4688 1.7868 1.7868
H7 2.4688 1.0957 3.4688 3.4688 4.2730 1.7868 1.7868
H8 2.4688 1.0957 3.4688 4.2730 3.4688 1.7868 1.7868
Maximum atom distance is 4.2730Å 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 110.607 C2 Si1 Cl4 110.607
C2 Si1 Cl5 110.607 Cl3 Si1 Cl4 108.312
Cl3 Si1 Cl5 108.312 Cl4 Si1 Cl5 108.312
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.697 Si1 C2 H7 109.697
Si1 C2 H8 109.697 H6 C2 H7 109.245
H6 C2 H8 109.245 H7 C2 H8 109.245

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