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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/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.2582   0.0000 0.0000 0.2582
C2 0.0000 0.0000 2.1210   0.0000 0.0000 2.1210
Cl3 0.0000 1.9399 -0.4674   1.9399 -0.0000 -0.4674
Cl4 1.6800 -0.9699 -0.4674   -0.9699 1.6800 -0.4674
Cl5 -1.6800 -0.9699 -0.4674   -0.9699 -1.6800 -0.4674
H6 0.0000 -1.0379 2.4984   -1.0379 0.0000 2.4984
H7 0.8989 0.5190 2.4984   0.5190 0.8989 2.4984
H8 -0.8989 0.5190 2.4984   0.5190 -0.8989 2.4984
Atom - Atom Distances (Å)
  Si1 C2 Cl3 Cl4 Cl5 H6 H7 H8
Si1 1.8629 2.0711 2.0711 2.0711 2.4690 2.4690 2.4690
C2 1.8629 3.2347 3.2347 3.2347 1.1044 1.1044 1.1044
Cl3 2.0711 3.2347 3.3600 3.3600 4.2027 3.4092 3.4092
Cl4 2.0711 3.2347 3.3600 3.3600 3.4092 3.4092 4.2027
Cl5 2.0711 3.2347 3.3600 3.3600 3.4092 4.2027 3.4092
H6 2.4690 1.1044 4.2027 3.4092 3.4092 1.7977 1.7977
H7 2.4690 1.1044 3.4092 3.4092 4.2027 1.7977 1.7977
H8 2.4690 1.1044 3.4092 4.2027 3.4092 1.7977 1.7977
Maximum atom distance is 4.2027Å 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 110.506 C2 Si1 Cl4 110.506
C2 Si1 Cl5 110.506 Cl3 Si1 Cl4 108.417
Cl3 Si1 Cl5 108.417 Cl4 Si1 Cl5 108.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 109.980 Si1 C2 H7 109.980
Si1 C2 H8 109.980 H6 C2 H7 108.958
H6 C2 H8 108.958 H7 C2 H8 108.958

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