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Geometry for SiCl3CH3 (methyltrichlorosilane) 1A1 C3V

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

MP2/3-21G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2787   0.0000 -0.0000 0.2787
C2 0.0000 0.0000 2.1652   0.0000 -0.0000 2.1652
Cl3 0.0000 2.0361 -0.4803   2.0361 0.0000 -0.4803
Cl4 1.7633 -1.0180 -0.4803   -1.0180 1.7633 -0.4803
Cl5 -1.7633 -1.0180 -0.4803   -1.0180 -1.7633 -0.4803
H6 0.0000 -1.0308 2.5350   -1.0308 -0.0000 2.5350
H7 0.8927 0.5154 2.5350   0.5154 0.8927 2.5350
H8 -0.8927 0.5154 2.5350   0.5154 -0.8927 2.5350
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8866 2.1729 2.1729 2.1729 2.4806 2.4806 2.4806
C2 1.8866 3.3384 3.3384 3.3384 1.0951 1.0951 1.0951
Cl3 2.1729 3.3384 3.5265 3.5265 4.3009 3.4931 3.4931
Cl4 2.1729 3.3384 3.5265 3.5265 3.4931 3.4931 4.3009
Cl5 2.1729 3.3384 3.5265 3.5265 3.4931 4.3009 3.4931
H6 2.4806 1.0951 4.3009 3.4931 3.4931 1.7853 1.7853
H7 2.4806 1.0951 3.4931 3.4931 4.3009 1.7853 1.7853
H8 2.4806 1.0951 3.4931 4.3009 3.4931 1.7853 1.7853
Maximum atom distance is 4.3009Å 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 110.445 C2 Si1 Cl4 110.445
C2 Si1 Cl5 110.445 Cl3 Si1 Cl4 108.481
Cl3 Si1 Cl5 108.481 Cl4 Si1 Cl5 108.481
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.735 Si1 C2 H7 109.735
Si1 C2 H8 109.735 H6 C2 H7 109.206
H6 C2 H8 109.206 H7 C2 H8 109.206

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